N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine

C27H33N3O — CID 55684128

IUPACN-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCc1cc(CNCc2ccc(CN3CCCC3)cc2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C27H33N3O/c1-21-15-25(16-22(2)27(21)31-20-26-7-3-4-12-29-26)18-28-17-23-8-10-24(11-9-23)19-30-13-5-6-14-30/h3-4,7-12,15-16,28H,5-6,13-14,17-20H2,1-2H3
InChIKeyGYMSCGPFUGWTBA-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.16
Rot. Bonds9

About N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine

N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 55684128) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID55684128
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCc1cc(CNCc2ccc(CN3CCCC3)cc2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C27H33N3O/c1-21-15-25(16-22(2)27(21)31-20-26-7-3-4-12-29-26)18-28-17-23-8-10-24(11-9-23)19-30-13-5-6-14-30/h3-4,7-12,15-16,28H,5-6,13-14,17-20H2,1-2H3
InChIKeyGYMSCGPFUGWTBA-UHFFFAOYSA-N
XLogP5.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 119128600
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123091
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylcyclopropan-1-amine
CID 119122246
5-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]pentanenitrile
CID 119115265
1-(2-chlorophenyl)-N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55684027
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115046
3-(pyridin-2-ylmethoxy)-6-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridazine
CID 59439163
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86843039
5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
CID 4702087
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-(pyridin-2-ylmethyl)-1-[4-(4,7,10,15-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methanamine
CID 45486368

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 55684128) is N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine is Cc1cc(CNCc2ccc(CN3CCCC3)cc2)cc(C)c1OCc1ccccn1.
What is the InChIKey of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is GYMSCGPFUGWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-21-15-25(16-22(2)27(21)31-20-26-7-3-4-12-29-26)18-28-17-23-8-10-24(11-9-23)19-30-13-5-6-14-30/h3-4,7-12,15-16,28H,5-6,13-14,17-20H2,1-2H3.
What are the key properties of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 415.58 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 55684128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).