(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride

C13H20ClN — CID 171230824

IUPAC(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
SMILESCCc1ccc([C@@H](N)CC2CC2)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-10-5-7-12(8-6-10)13(14)9-11-3-4-11;/h5-8,11,13H,2-4,9,14H2,1H3;1H/t13-;/m0./s1
InChIKeyVSWLWEHGNFMSLF-ZOWNYOTGSA-N
MW225.76 g/mol
LogP3.47
Rot. Bonds4

About (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride

(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride (PubChem CID 171230824) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
PubChem CID171230824
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
SMILESCCc1ccc([C@@H](N)CC2CC2)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-10-5-7-12(8-6-10)13(14)9-11-3-4-11;/h5-8,11,13H,2-4,9,14H2,1H3;1H/t13-;/m0./s1
InChIKeyVSWLWEHGNFMSLF-ZOWNYOTGSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
[2-cyclopropyl-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197252
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride (CID 171230824) is (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride is CCc1ccc([C@@H](N)CC2CC2)cc1.Cl.
What is the InChIKey of (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride?
The InChIKey is VSWLWEHGNFMSLF-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-2-10-5-7-12(8-6-10)13(14)9-11-3-4-11;/h5-8,11,13H,2-4,9,14H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171230824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).