1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine

C13H19N — CID 114997792

IUPAC1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)C2CC2)c1C
InChIInChI=1S/C13H19N/c1-9-5-4-6-12(10(9)2)13(3,14)11-7-8-11/h4-6,11H,7-8,14H2,1-3H3
InChIKeyPGJMQKLZMPXNRD-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.89
Rot. Bonds2

About 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine

1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine (PubChem CID 114997792) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine
PubChem CID114997792
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(C)(N)C2CC2)c1C
InChIInChI=1S/C13H19N/c1-9-5-4-6-12(10(9)2)13(3,14)11-7-8-11/h4-6,11H,7-8,14H2,1-3H3
InChIKeyPGJMQKLZMPXNRD-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
(1R)-1-cyclopropyl-1-(2,3-dimethylphenyl)ethanol
CID 94483384
acetic acid;2-(2,3-dimethylphenyl)propan-2-amine
CID 173060672
1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290402
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
1-cyclopropyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115002546
1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79146195
2-[2-(2-aminopropan-2-yl)-3-methylphenyl]propan-2-amine
CID 70406014
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
2-amino-2-cyclopropyl-N-(2,3-dimethylphenyl)propanamide
CID 54924935
1-cyclopentyl-2-(2-methylphenyl)propan-2-amine
CID 62620877
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 82235884

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine (CID 114997792) is 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine is Cc1cccc(C(C)(N)C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine?
The InChIKey is PGJMQKLZMPXNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9-5-4-6-12(10(9)2)13(3,14)11-7-8-11/h4-6,11H,7-8,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine?
1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine has a molecular weight of 189.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,3-dimethylphenyl)ethanamine is sourced from PubChem (CID 114997792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).