2-(3,5-dimethylphenyl)propan-1-amine

C11H17N — CID 79003874

IUPAC2-(3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)cc(C(C)CN)c1
InChIInChI=1S/C11H17N/c1-8-4-9(2)6-11(5-8)10(3)7-12/h4-6,10H,7,12H2,1-3H3
InChIKeyWZTWOJDBDHKFNQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.37
Rot. Bonds2

About 2-(3,5-dimethylphenyl)propan-1-amine

2-(3,5-dimethylphenyl)propan-1-amine (PubChem CID 79003874) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)propan-1-amine
PubChem CID79003874
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-(3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)cc(C(C)CN)c1
InChIInChI=1S/C11H17N/c1-8-4-9(2)6-11(5-8)10(3)7-12/h4-6,10H,7,12H2,1-3H3
InChIKeyWZTWOJDBDHKFNQ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-aminopropan-2-yl)-5-methylphenol
CID 83694991
2-(3-methoxy-5-methylphenyl)propan-1-amine
CID 83696098
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
3-amino-1-(3,5-dimethylphenyl)-2-methylpropan-1-ol
CID 65190666
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
5-(3,5-dimethylphenyl)hexane-2,3-diol
CID 83922432
2-[3,4,5-tris(methylsulfanyl)phenyl]propan-1-amine
CID 117436822
5-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802474
1-[2,6-bis[1-(3,5-dimethylphenyl)ethyl]-4-methylphenyl]ethane-1,2-diamine
CID 175193381
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
bis(3,5-dimethylphenyl)methanamine
CID 115796405
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)propan-1-amine (CID 79003874) is 2-(3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)propan-1-amine is Cc1cc(C)cc(C(C)CN)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)propan-1-amine?
The InChIKey is WZTWOJDBDHKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-4-9(2)6-11(5-8)10(3)7-12/h4-6,10H,7,12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)propan-1-amine?
2-(3,5-dimethylphenyl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 79003874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).