4-methyl-1-(3-methylphenyl)pentan-2-amine

C13H21N — CID 59323309

IUPAC4-methyl-1-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(CC(N)CC(C)C)c1
InChIInChI=1S/C13H21N/c1-10(2)7-13(14)9-12-6-4-5-11(3)8-12/h4-6,8,10,13H,7,9,14H2,1-3H3
InChIKeyFYGUIFQXSZCBSZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.91
Rot. Bonds4

About 4-methyl-1-(3-methylphenyl)pentan-2-amine

4-methyl-1-(3-methylphenyl)pentan-2-amine (PubChem CID 59323309) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenyl)pentan-2-amine
PubChem CID59323309
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-methyl-1-(3-methylphenyl)pentan-2-amine
SMILESCc1cccc(CC(N)CC(C)C)c1
InChIInChI=1S/C13H21N/c1-10(2)7-13(14)9-12-6-4-5-11(3)8-12/h4-6,8,10,13H,7,9,14H2,1-3H3
InChIKeyFYGUIFQXSZCBSZ-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(3-methylphenyl)butan-2-amine
CID 62390102
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1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
5,7-dimethyl-1-(3-methylphenyl)octan-3-amine
CID 114201728
4-ethyl-1-(3-methylphenyl)octan-2-amine
CID 63414791
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-amino-3-(3-methylphenyl)propanal
CID 82415099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 4-methyl-1-(3-methylphenyl)pentan-2-amine (CID 59323309) is 4-methyl-1-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-1-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 4-methyl-1-(3-methylphenyl)pentan-2-amine is Cc1cccc(CC(N)CC(C)C)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenyl)pentan-2-amine?
The InChIKey is FYGUIFQXSZCBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)7-13(14)9-12-6-4-5-11(3)8-12/h4-6,8,10,13H,7,9,14H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylphenyl)pentan-2-amine?
4-methyl-1-(3-methylphenyl)pentan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 59323309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).