1-(2,6-dimethylphenyl)propan-1-amine

C11H17N — CID 55282920

IUPAC1-(2,6-dimethylphenyl)propan-1-amine
SMILESCCC(N)c1c(C)cccc1C
InChIInChI=1S/C11H17N/c1-4-10(12)11-8(2)6-5-7-9(11)3/h5-7,10H,4,12H2,1-3H3
InChIKeyYAAMVWQEEDCRGC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,6-dimethylphenyl)propan-1-amine

1-(2,6-dimethylphenyl)propan-1-amine (PubChem CID 55282920) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)propan-1-amine
PubChem CID55282920
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2,6-dimethylphenyl)propan-1-amine
SMILESCCC(N)c1c(C)cccc1C
InChIInChI=1S/C11H17N/c1-4-10(12)11-8(2)6-5-7-9(11)3/h5-7,10H,4,12H2,1-3H3
InChIKeyYAAMVWQEEDCRGC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-aminopropyl]-3-methylphenol
CID 130648593
(1R)-1-(2-bromo-6-methylphenyl)propan-1-amine
CID 130632394
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
1-(2,6-dimethylphenyl)-2-fluoroethanamine
CID 130061517
(3S)-3-amino-3-(2,6-dimethylphenyl)propan-1-ol
CID 130664971
bis[2-amino-2-(2,6-dimethylphenyl)ethyl]azanide;cobalt
CID 66809098
1-(2-iodo-3-methylphenyl)propan-1-amine
CID 103846034
(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204326
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
1-(2-ethyl-3-methylphenyl)propan-1-amine
CID 55283477
(3S)-3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 79003053
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)propan-1-amine (CID 55282920) is 1-(2,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)propan-1-amine is CCC(N)c1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)propan-1-amine?
The InChIKey is YAAMVWQEEDCRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10(12)11-8(2)6-5-7-9(11)3/h5-7,10H,4,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)propan-1-amine?
1-(2,6-dimethylphenyl)propan-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 55282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).