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

C21H29N3O2 — CID 119123091

IUPACN-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCc1cc(CNCC2CN(C)CCO2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C21H29N3O2/c1-16-10-18(12-22-13-20-14-24(3)8-9-25-20)11-17(2)21(16)26-15-19-6-4-5-7-23-19/h4-7,10-11,20,22H,8-9,12-15H2,1-3H3
InChIKeyQGCDYPKYHWJOES-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.70
Rot. Bonds7

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

N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine (PubChem CID 119123091) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
PubChem CID119123091
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
SMILESCc1cc(CNCC2CN(C)CCO2)cc(C)c1OCc1ccccn1
InChIInChI=1S/C21H29N3O2/c1-16-10-18(12-22-13-20-14-24(3)8-9-25-20)11-17(2)21(16)26-15-19-6-4-5-7-23-19/h4-7,10-11,20,22H,8-9,12-15H2,1-3H3
InChIKeyQGCDYPKYHWJOES-UHFFFAOYSA-N
XLogP2.70
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-4-methylmorpholin-2-yl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 95302096
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 55684128
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
4-[[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115046
1-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 119128600
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
1-(4-methylmorpholin-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 167846857
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
CID 95339003
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 95160732

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine (CID 119123091) is N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine is Cc1cc(CNCC2CN(C)CCO2)cc(C)c1OCc1ccccn1.
What is the InChIKey of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
The InChIKey is QGCDYPKYHWJOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-10-18(12-22-13-20-14-24(3)8-9-25-20)11-17(2)21(16)26-15-19-6-4-5-7-23-19/h4-7,10-11,20,22H,8-9,12-15H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine?
N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine has a molecular weight of 355.48 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine is sourced from PubChem (CID 119123091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).