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

C13H21N — CID 62388327

IUPAC3-methyl-1-(3-methylphenyl)pentan-2-amine
SMILESCCC(C)C(N)Cc1cccc(C)c1
InChIInChI=1S/C13H21N/c1-4-11(3)13(14)9-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9,14H2,1-3H3
InChIKeyWXMNFYBHBRFDAV-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.91
Rot. Bonds4

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

3-methyl-1-(3-methylphenyl)pentan-2-amine (PubChem CID 62388327) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methyl-1-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methylphenyl)pentan-2-amine
PubChem CID62388327
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-methyl-1-(3-methylphenyl)pentan-2-amine
SMILESCCC(C)C(N)Cc1cccc(C)c1
InChIInChI=1S/C13H21N/c1-4-11(3)13(14)9-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9,14H2,1-3H3
InChIKeyWXMNFYBHBRFDAV-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

3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
formamide;1-methyl-3-(2-methylpropyl)benzene
CID 170631476
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 3-methyl-1-(3-methylphenyl)pentan-2-amine (CID 62388327) is 3-methyl-1-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-1-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 3-methyl-1-(3-methylphenyl)pentan-2-amine is CCC(C)C(N)Cc1cccc(C)c1.
What is the InChIKey of 3-methyl-1-(3-methylphenyl)pentan-2-amine?
The InChIKey is WXMNFYBHBRFDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-11(3)13(14)9-12-7-5-6-10(2)8-12/h5-8,11,13H,4,9,14H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylphenyl)pentan-2-amine?
3-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 3-methyl-1-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 62388327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).