(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride

C13H22ClN — CID 171229467

IUPAC(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
SMILESCc1ccccc1[C@@H](N)CCC(C)C.Cl
InChIInChI=1S/C13H21N.ClH/c1-10(2)8-9-13(14)12-7-5-4-6-11(12)3;/h4-7,10,13H,8-9,14H2,1-3H3;1H/t13-;/m0./s1
InChIKeyKBVCZYPQHMUAKN-ZOWNYOTGSA-N
MW227.78 g/mol
LogP3.85
Rot. Bonds4

About (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride

(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride (PubChem CID 171229467) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
PubChem CID171229467
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
SMILESCc1ccccc1[C@@H](N)CCC(C)C.Cl
InChIInChI=1S/C13H21N.ClH/c1-10(2)8-9-13(14)12-7-5-4-6-11(12)3;/h4-7,10,13H,8-9,14H2,1-3H3;1H/t13-;/m0./s1
InChIKeyKBVCZYPQHMUAKN-ZOWNYOTGSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171200975
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
1-(2-methylphenyl)nonan-1-amine
CID 63412316
1-(2-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775535

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride (CID 171229467) is (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride is Cc1ccccc1[C@@H](N)CCC(C)C.Cl.
What is the InChIKey of (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride?
The InChIKey is KBVCZYPQHMUAKN-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H21N.ClH/c1-10(2)8-9-13(14)12-7-5-4-6-11(12)3;/h4-7,10,13H,8-9,14H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride?
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride has a molecular weight of 227.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171229467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).