2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine

C14H23N — CID 43110036

IUPAC2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1cccc(C)c1
InChIInChI=1S/C14H23N/c1-4-6-13(3)10-15-11-14-8-5-7-12(2)9-14/h5,7-9,13,15H,4,6,10-11H2,1-3H3
InChIKeyKWQIYQBQNOAGMN-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine

2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine (PubChem CID 43110036) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
PubChem CID43110036
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1cccc(C)c1
InChIInChI=1S/C14H23N/c1-4-6-13(3)10-15-11-14-8-5-7-12(2)9-14/h5,7-9,13,15H,4,6,10-11H2,1-3H3
InChIKeyKWQIYQBQNOAGMN-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-methylpentylamino)methyl]phenol
CID 115905193
2-(2-chloroethyl)-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 106117175
3-methyl-N-(2-methylpentyl)aniline
CID 43103474
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
1-[(3-methylphenyl)methylamino]propan-2-yl pentanoate
CID 82533321
2-bromo-4-[(2-methylpentylamino)methyl]phenol
CID 115908134
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207
ethane;methanamine;2-[(3-methylphenyl)methylamino]acetaldehyde
CID 143498965
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine (CID 43110036) is 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine is CCCC(C)CNCc1cccc(C)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
The InChIKey is KWQIYQBQNOAGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-6-13(3)10-15-11-14-8-5-7-12(2)9-14/h5,7-9,13,15H,4,6,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 43110036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).