2-[(4-methylphenyl)methyl]heptan-1-amine

C15H25N — CID 62503996

IUPAC2-[(4-methylphenyl)methyl]heptan-1-amine
SMILESCCCCCC(CN)Cc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12,16H2,1-2H3
InChIKeyNSNRLAUBEHSXMI-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.69
Rot. Bonds7

About 2-[(4-methylphenyl)methyl]heptan-1-amine

2-[(4-methylphenyl)methyl]heptan-1-amine (PubChem CID 62503996) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]heptan-1-amine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]heptan-1-amine
PubChem CID62503996
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-[(4-methylphenyl)methyl]heptan-1-amine
SMILESCCCCCC(CN)Cc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12,16H2,1-2H3
InChIKeyNSNRLAUBEHSXMI-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
CID 55195254
1-[2-(chloromethyl)heptyl]-4-methylbenzene
CID 66033261
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
1-[2-(bromomethyl)octyl]-4-methylbenzene
CID 66042675
1-[2-(chloromethyl)hexyl]-4-methylbenzene
CID 66033472
4-(2-hexyldecyl)aniline
CID 68751283
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
1-(4-methylphenyl)octan-2-ol
CID 62607878
1-(2-bromodecyl)-4-methylbenzene
CID 65427581
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]heptan-1-amine?
The IUPAC name of 2-[(4-methylphenyl)methyl]heptan-1-amine (CID 62503996) is 2-[(4-methylphenyl)methyl]heptan-1-amine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]heptan-1-amine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]heptan-1-amine is CCCCCC(CN)Cc1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]heptan-1-amine?
The InChIKey is NSNRLAUBEHSXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12,16H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]heptan-1-amine?
2-[(4-methylphenyl)methyl]heptan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]heptan-1-amine is sourced from PubChem (CID 62503996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).