N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine

C17H22N2 — CID 102880849

IUPACN-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
SMILESCc1cncc(CNCCC(C)c2ccccc2)c1
InChIInChI=1S/C17H22N2/c1-14-10-16(13-19-11-14)12-18-9-8-15(2)17-6-4-3-5-7-17/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3
InChIKeyGKMFTOAXBKVJQV-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds6

About N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine

N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine (PubChem CID 102880849) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
PubChem CID102880849
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine
SMILESCc1cncc(CNCCC(C)c2ccccc2)c1
InChIInChI=1S/C17H22N2/c1-14-10-16(13-19-11-14)12-18-9-8-15(2)17-6-4-3-5-7-17/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3
InChIKeyGKMFTOAXBKVJQV-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744
1-[(5-methyl-3-pyridinyl)methylamino]pentan-3-ol
CID 102881090
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
N-[(3-chlorophenyl)methyl]-3-phenylbutan-1-amine
CID 63477151
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
N-[(2,4-dimethylphenyl)methyl]-3-phenylbutan-1-amine
CID 63462083
3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
N-[(3-bromo-5-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 79710629
2-bromo-4-[(3-phenylbutylamino)methyl]phenol
CID 63052634

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine (CID 102880849) is N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine is Cc1cncc(CNCCC(C)c2ccccc2)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine?
The InChIKey is GKMFTOAXBKVJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-10-16(13-19-11-14)12-18-9-8-15(2)17-6-4-3-5-7-17/h3-7,10-11,13,15,18H,8-9,12H2,1-2H3.
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine?
N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]-3-phenylbutan-1-amine is sourced from PubChem (CID 102880849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).