4-methyl-N-(3-phenylbutyl)pyridin-3-amine

C16H20N2 — CID 55201696

IUPAC4-methyl-N-(3-phenylbutyl)pyridin-3-amine
SMILESCc1ccncc1NCCC(C)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(15-6-4-3-5-7-15)9-11-18-16-12-17-10-8-14(16)2/h3-8,10,12-13,18H,9,11H2,1-2H3
InChIKeyXLOFRQKUTRIVLN-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.00
Rot. Bonds5

About 4-methyl-N-(3-phenylbutyl)pyridin-3-amine

4-methyl-N-(3-phenylbutyl)pyridin-3-amine (PubChem CID 55201696) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylbutyl)pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenylbutyl)pyridin-3-amine
PubChem CID55201696
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-methyl-N-(3-phenylbutyl)pyridin-3-amine
SMILESCc1ccncc1NCCC(C)c1ccccc1
InChIInChI=1S/C16H20N2/c1-13(15-6-4-3-5-7-15)9-11-18-16-12-17-10-8-14(16)2/h3-8,10,12-13,18H,9,11H2,1-2H3
InChIKeyXLOFRQKUTRIVLN-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(3-methyl-2-phenylbutyl)pyridin-3-amine
CID 107876162
N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180
2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 103584755
3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204
N'-(4-methyl-3-pyridinyl)propane-1,3-diamine
CID 66273701
4-methyl-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 62988549
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
1-(4-methyl-3-pyridinyl)-3-phenylbutan-1-ol
CID 66273094
N-(3-phenylbutyl)-2-propylaniline
CID 63434100
3-fluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 63422940
2-(3-phenylbutylamino)benzoic acid
CID 63423081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylbutyl)pyridin-3-amine?
The IUPAC name of 4-methyl-N-(3-phenylbutyl)pyridin-3-amine (CID 55201696) is 4-methyl-N-(3-phenylbutyl)pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-(3-phenylbutyl)pyridin-3-amine?
The canonical SMILES for 4-methyl-N-(3-phenylbutyl)pyridin-3-amine is Cc1ccncc1NCCC(C)c1ccccc1.
What is the InChIKey of 4-methyl-N-(3-phenylbutyl)pyridin-3-amine?
The InChIKey is XLOFRQKUTRIVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13(15-6-4-3-5-7-15)9-11-18-16-12-17-10-8-14(16)2/h3-8,10,12-13,18H,9,11H2,1-2H3.
What are the key properties of 4-methyl-N-(3-phenylbutyl)pyridin-3-amine?
4-methyl-N-(3-phenylbutyl)pyridin-3-amine has a molecular weight of 240.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylbutyl)pyridin-3-amine is sourced from PubChem (CID 55201696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).