N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine

C25H31N3O — CID 119111085

IUPACN-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1ccccc1CNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C25H31N3O/c1-20(2)28(3)18-24-12-5-4-10-22(24)16-27-17-23-11-6-7-13-25(23)29-19-21-9-8-14-26-15-21/h4-15,20,27H,16-19H2,1-3H3
InChIKeyBMMIBBMJNCHPIW-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.79
Rot. Bonds10

About N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine

N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 119111085) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine
PubChem CID119111085
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1ccccc1CNCc1ccccc1OCc1cccnc1
InChIInChI=1S/C25H31N3O/c1-20(2)28(3)18-24-12-5-4-10-22(24)16-27-17-23-11-6-7-13-25(23)29-19-21-9-8-14-26-15-21/h4-15,20,27H,16-19H2,1-3H3
InChIKeyBMMIBBMJNCHPIW-UHFFFAOYSA-N
XLogP4.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
2-(4-ethylpiperazin-1-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119111201
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
2-ethyl-2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]butanoic acid
CID 122129096
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
(1S)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 97347457
1-[(2R)-1-methylpyrrolidin-2-yl]-N-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine
CID 124684778

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine (CID 119111085) is N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine is CC(C)N(C)Cc1ccccc1CNCc1ccccc1OCc1cccnc1.
What is the InChIKey of N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is BMMIBBMJNCHPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-20(2)28(3)18-24-12-5-4-10-22(24)16-27-17-23-11-6-7-13-25(23)29-19-21-9-8-14-26-15-21/h4-15,20,27H,16-19H2,1-3H3.
What are the key properties of N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine?
N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 389.54 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 119111085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).