2-cyclobutyl-1-phenylethanamine;hydrochloride

C12H18ClN — CID 131675142

IUPAC2-cyclobutyl-1-phenylethanamine;hydrochloride
SMILESCl.NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C12H17N.ClH/c13-12(9-10-5-4-6-10)11-7-2-1-3-8-11;/h1-3,7-8,10,12H,4-6,9,13H2;1H
InChIKeyFVBXFBDHVPAUHC-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.30
Rot. Bonds3

About 2-cyclobutyl-1-phenylethanamine;hydrochloride

2-cyclobutyl-1-phenylethanamine;hydrochloride (PubChem CID 131675142) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-cyclobutyl-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-1-phenylethanamine;hydrochloride
PubChem CID131675142
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-cyclobutyl-1-phenylethanamine;hydrochloride
SMILESCl.NC(CC1CCC1)c1ccccc1
InChIInChI=1S/C12H17N.ClH/c13-12(9-10-5-4-6-10)11-7-2-1-3-8-11;/h1-3,7-8,10,12H,4-6,9,13H2;1H
InChIKeyFVBXFBDHVPAUHC-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cycloheptyl-1-phenylethanamine
CID 21261900
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
2-(2-ethylcyclohexyl)-1-phenylethanamine
CID 81013913
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-cyclobutyl-1-phenylethanamine;hydrochloride (CID 131675142) is 2-cyclobutyl-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-cyclobutyl-1-phenylethanamine;hydrochloride is Cl.NC(CC1CCC1)c1ccccc1.
What is the InChIKey of 2-cyclobutyl-1-phenylethanamine;hydrochloride?
The InChIKey is FVBXFBDHVPAUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c13-12(9-10-5-4-6-10)11-7-2-1-3-8-11;/h1-3,7-8,10,12H,4-6,9,13H2;1H.
What are the key properties of 2-cyclobutyl-1-phenylethanamine;hydrochloride?
2-cyclobutyl-1-phenylethanamine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 131675142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).