3-(2-chloro-3,6-dimethylphenyl)propan-1-amine

C11H16ClN — CID 84774719

IUPAC3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C)c(CCCN)c1Cl
InChIInChI=1S/C11H16ClN/c1-8-5-6-9(2)11(12)10(8)4-3-7-13/h5-6H,3-4,7,13H2,1-2H3
InChIKeyQTQQLSCNTVFPAY-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.85
Rot. Bonds3

About 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine

3-(2-chloro-3,6-dimethylphenyl)propan-1-amine (PubChem CID 84774719) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
PubChem CID84774719
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C)c(CCCN)c1Cl
InChIInChI=1S/C11H16ClN/c1-8-5-6-9(2)11(12)10(8)4-3-7-13/h5-6H,3-4,7,13H2,1-2H3
InChIKeyQTQQLSCNTVFPAY-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-Dimethylphenyl)propan-1-amine
CID 4962541
[3-Chloranyl-4-(2-ethylphenyl)phenyl]methanamine
CID 132281885
C-[3-(3-Chloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine
CID 44382593
[(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride
CID 44572173
3-(3-chloro-4-methylphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541193
3-(2-Chlorophenyl)propan-1-amine
CID 5200411
2-(2,4,6-Trimethylphenyl)ethan-1-amine hydrochloride
CID 24189586
2-(3,4-Dimethylphenyl)ethan-1-amine hydrochloride
CID 54602520
2-Chloro-6-methylbenzylamine
CID 521799
[3-Chloranyl-4-(2-methylphenyl)phenyl]methanamine
CID 108392790
[3-Chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
CID 132281886
4-(3-Chlorophenyl)butan-1-amine
CID 10655071

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine (CID 84774719) is 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine is Cc1ccc(C)c(CCCN)c1Cl.
What is the InChIKey of 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine?
The InChIKey is QTQQLSCNTVFPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8-5-6-9(2)11(12)10(8)4-3-7-13/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine?
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 84774719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).