N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine

C17H22N2O — CID 79008418

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccnc(OC)c1
InChIInChI=1S/C17H22N2O/c1-3-16(11-14-7-5-4-6-8-14)19-13-15-9-10-18-17(12-15)20-2/h4-10,12,16,19H,3,11,13H2,1-2H3
InChIKeyKNVAMFSTXQGTCE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds7

About N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine

N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine (PubChem CID 79008418) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
PubChem CID79008418
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCc1ccnc(OC)c1
InChIInChI=1S/C17H22N2O/c1-3-16(11-14-7-5-4-6-8-14)19-13-15-9-10-18-17(12-15)20-2/h4-10,12,16,19H,3,11,13H2,1-2H3
InChIKeyKNVAMFSTXQGTCE-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 62990396
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-2-amine
CID 79008069
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylbutan-2-amine
CID 79007946
N-[(3-chloro-4-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 79008350
1-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62990560
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine (CID 79008418) is N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCc1ccnc(OC)c1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine?
The InChIKey is KNVAMFSTXQGTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-16(11-14-7-5-4-6-8-14)19-13-15-9-10-18-17(12-15)20-2/h4-10,12,16,19H,3,11,13H2,1-2H3.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine?
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-1-phenylbutan-2-amine is sourced from PubChem (CID 79008418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).