(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride

C13H20ClN — CID 171230830

IUPAC(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
SMILESCCc1ccc([C@@H](N)C2CCC2)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-10-6-8-12(9-7-10)13(14)11-4-3-5-11;/h6-9,11,13H,2-5,14H2,1H3;1H/t13-;/m0./s1
InChIKeyQZLYVVMCCACJJI-ZOWNYOTGSA-N
MW225.76 g/mol
LogP3.47
Rot. Bonds3

About (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride

(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride (PubChem CID 171230830) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
PubChem CID171230830
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
SMILESCCc1ccc([C@@H](N)C2CCC2)cc1.Cl
InChIInChI=1S/C13H19N.ClH/c1-2-10-6-8-12(9-7-10)13(14)11-4-3-5-11;/h6-9,11,13H,2-5,14H2,1H3;1H/t13-;/m0./s1
InChIKeyQZLYVVMCCACJJI-ZOWNYOTGSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(4-butylphenyl)-cyclobutylmethanamine
CID 43198183
cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198323
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
(1S)-2-cyclopropyl-1-(4-ethylphenyl)ethanamine;hydrochloride
CID 171230824
(4-butylphenyl)-cyclopropylmethanamine
CID 5034809
4-[(R)-amino(cyclobutyl)methyl]phenol
CID 130780811
4-[(S)-amino(cyclobutyl)methyl]phenol
CID 130741168
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 65018593
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanamine
CID 55188328
[4-[(R)-amino(cyclopropyl)methyl]phenyl]methanol
CID 130727327
(R)-cyclobutyl-(4-methylsulfonylphenyl)methanamine
CID 96674488

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride (CID 171230830) is (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride is CCc1ccc([C@@H](N)C2CCC2)cc1.Cl.
What is the InChIKey of (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride?
The InChIKey is QZLYVVMCCACJJI-ZOWNYOTGSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-2-10-6-8-12(9-7-10)13(14)11-4-3-5-11;/h6-9,11,13H,2-5,14H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride?
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171230830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).