3-[(2-methylphenyl)methyl]heptan-3-amine

C15H25N — CID 65020473

IUPAC3-[(2-methylphenyl)methyl]heptan-3-amine
SMILESCCCCC(N)(CC)Cc1ccccc1C
InChIInChI=1S/C15H25N/c1-4-6-11-15(16,5-2)12-14-10-8-7-9-13(14)3/h7-10H,4-6,11-12,16H2,1-3H3
InChIKeyKUURLVDQHFHACM-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.84
Rot. Bonds6

About 3-[(2-methylphenyl)methyl]heptan-3-amine

3-[(2-methylphenyl)methyl]heptan-3-amine (PubChem CID 65020473) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]heptan-3-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]heptan-3-amine
PubChem CID65020473
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-[(2-methylphenyl)methyl]heptan-3-amine
SMILESCCCCC(N)(CC)Cc1ccccc1C
InChIInChI=1S/C15H25N/c1-4-6-11-15(16,5-2)12-14-10-8-7-9-13(14)3/h7-10H,4-6,11-12,16H2,1-3H3
InChIKeyKUURLVDQHFHACM-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2-methylphenyl)methyl]heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-dimethylphenyl)methyl]heptan-3-amine
CID 65020366
2-ethyl-2-[(2-methylphenyl)methyl]hexanoic acid
CID 63402696
3-[(5-chloro-2-fluorophenyl)methyl]heptan-3-amine
CID 103050992
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994
3-ethylheptan-3-amine
CID 12708037
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441
5-ethylnonan-5-amine;hydrochloride
CID 174766496
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
3-[(2-bromo-5-methoxyphenyl)methyl]heptan-3-amine
CID 65330931
3-benzylhexan-3-amine
CID 79007389

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]heptan-3-amine?
The IUPAC name of 3-[(2-methylphenyl)methyl]heptan-3-amine (CID 65020473) is 3-[(2-methylphenyl)methyl]heptan-3-amine.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]heptan-3-amine?
The canonical SMILES for 3-[(2-methylphenyl)methyl]heptan-3-amine is CCCCC(N)(CC)Cc1ccccc1C.
What is the InChIKey of 3-[(2-methylphenyl)methyl]heptan-3-amine?
The InChIKey is KUURLVDQHFHACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-6-11-15(16,5-2)12-14-10-8-7-9-13(14)3/h7-10H,4-6,11-12,16H2,1-3H3.
What are the key properties of 3-[(2-methylphenyl)methyl]heptan-3-amine?
3-[(2-methylphenyl)methyl]heptan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]heptan-3-amine is sourced from PubChem (CID 65020473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).