N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine

C17H22N2O — CID 114333213

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
SMILESCOc1ncccc1CNCCCCc1ccccc1
InChIInChI=1S/C17H22N2O/c1-20-17-16(11-7-13-19-17)14-18-12-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11,13,18H,5-6,10,12,14H2,1H3
InChIKeyAAJYFHBGTLXLLH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.20
Rot. Bonds8

About N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine

N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine (PubChem CID 114333213) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
PubChem CID114333213
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
SMILESCOc1ncccc1CNCCCCc1ccccc1
InChIInChI=1S/C17H22N2O/c1-20-17-16(11-7-13-19-17)14-18-12-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11,13,18H,5-6,10,12,14H2,1H3
InChIKeyAAJYFHBGTLXLLH-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]decan-1-amine
CID 63491513
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
2-[(2-methoxy-3-pyridinyl)methylamino]ethanesulfonamide
CID 114384819
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400363
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine (CID 114333213) is N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine is COc1ncccc1CNCCCCc1ccccc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine?
The InChIKey is AAJYFHBGTLXLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-17-16(11-7-13-19-17)14-18-12-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11,13,18H,5-6,10,12,14H2,1H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine?
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 114333213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).