3-(2,6-dimethylphenyl)prop-2-en-1-amine

C11H15N — CID 169463179

IUPAC3-(2,6-dimethylphenyl)prop-2-en-1-amine
SMILESCc1cccc(C)c1C=CCN
InChIInChI=1S/C11H15N/c1-9-5-3-6-10(2)11(9)7-4-8-12/h3-7H,8,12H2,1-2H3
InChIKeyLEQVZZIJTBCBDF-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.28
Rot. Bonds2

About 3-(2,6-dimethylphenyl)prop-2-en-1-amine

3-(2,6-dimethylphenyl)prop-2-en-1-amine (PubChem CID 169463179) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)prop-2-en-1-amine
PubChem CID169463179
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-(2,6-dimethylphenyl)prop-2-en-1-amine
SMILESCc1cccc(C)c1C=CCN
InChIInChI=1S/C11H15N/c1-9-5-3-6-10(2)11(9)7-4-8-12/h3-7H,8,12H2,1-2H3
InChIKeyLEQVZZIJTBCBDF-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminoprop-1-enyl)-3-methylbenzoic acid
CID 169463784
3-(2,6-dimethylphenyl)prop-2-ene-1-thiol
CID 169454689
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
2-[(1E)-hexa-1,5-dienyl]-1,3-dimethylbenzene
CID 102344241
2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
CID 117278700
2-[(E)-but-1-enyl]-1-fluoro-3-methylbenzene
CID 142162994
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-en-1-amine
CID 117282507
3-(3-methyl-2-pyridinyl)prop-2-en-1-amine
CID 169463131
2-[(1E,3E,5E)-6-(2,6-dimethylphenyl)hexa-1,3,5-trienyl]-1,3-dimethylbenzene
CID 102315083

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)prop-2-en-1-amine?
The IUPAC name of 3-(2,6-dimethylphenyl)prop-2-en-1-amine (CID 169463179) is 3-(2,6-dimethylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(2,6-dimethylphenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(2,6-dimethylphenyl)prop-2-en-1-amine is Cc1cccc(C)c1C=CCN.
What is the InChIKey of 3-(2,6-dimethylphenyl)prop-2-en-1-amine?
The InChIKey is LEQVZZIJTBCBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-5-3-6-10(2)11(9)7-4-8-12/h3-7H,8,12H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)prop-2-en-1-amine?
3-(2,6-dimethylphenyl)prop-2-en-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 169463179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).