2-cyclobutyl-2-phenylethanamine;hydrochloride

C12H18ClN — CID 155858547

IUPAC2-cyclobutyl-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)C1CCC1
InChIInChI=1S/C12H17N.ClH/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H
InChIKeyQENPGJLLAUWYJZ-UHFFFAOYSA-N
MW211.74 g/mol
LogP2.95
Rot. Bonds3

About 2-cyclobutyl-2-phenylethanamine;hydrochloride

2-cyclobutyl-2-phenylethanamine;hydrochloride (PubChem CID 155858547) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 2-cyclobutyl-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-2-phenylethanamine;hydrochloride
PubChem CID155858547
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name2-cyclobutyl-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)C1CCC1
InChIInChI=1S/C12H17N.ClH/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H
InChIKeyQENPGJLLAUWYJZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
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(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
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CID 83973210
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
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1-cyclobutylpentylbenzene
CID 90897767

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-2-phenylethanamine;hydrochloride?
The IUPAC name of 2-cyclobutyl-2-phenylethanamine;hydrochloride (CID 155858547) is 2-cyclobutyl-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-cyclobutyl-2-phenylethanamine;hydrochloride is Cl.NCC(c1ccccc1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-2-phenylethanamine;hydrochloride?
The InChIKey is QENPGJLLAUWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10;/h1-3,5-6,11-12H,4,7-9,13H2;1H.
What are the key properties of 2-cyclobutyl-2-phenylethanamine;hydrochloride?
2-cyclobutyl-2-phenylethanamine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 155858547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).