1-(2,4-dimethylphenyl)propan-2-amine

C11H17N — CID 541870

IUPAC1-(2,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C11H17N/c1-8-4-5-11(7-10(3)12)9(2)6-8/h4-6,10H,7,12H2,1-3H3
InChIKeyAPKRQZWEAZTOTA-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.19
Rot. Bonds2

About 1-(2,4-dimethylphenyl)propan-2-amine

1-(2,4-dimethylphenyl)propan-2-amine (PubChem CID 541870) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)propan-2-amine
PubChem CID541870
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C11H17N/c1-8-4-5-11(7-10(3)12)9(2)6-8/h4-6,10H,7,12H2,1-3H3
InChIKeyAPKRQZWEAZTOTA-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905
(3S)-4-(2,4-dimethylphenyl)butane-1,3-diamine
CID 162376806
(2S)-2-amino-3-(2,4-dimethylphenyl)propan-1-ol;hydrochloride
CID 131885660
4-(2-aminopropyl)-N,3-dimethylaniline
CID 10035180
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
CID 168863362
1-[4-(2-fluoro-5-methylphenoxy)-2-methylphenyl]propan-2-amine
CID 64855867
(2R)-1-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753
1-(2,3,5-trimethylphenyl)propan-2-amine
CID 117277671
4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)propan-2-amine (CID 541870) is 1-(2,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)propan-2-amine is Cc1ccc(CC(C)N)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)propan-2-amine?
The InChIKey is APKRQZWEAZTOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-4-5-11(7-10(3)12)9(2)6-8/h4-6,10H,7,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)propan-2-amine?
1-(2,4-dimethylphenyl)propan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 541870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).