(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride

C14H22ClN — CID 171211996

IUPAC(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
SMILESCC(C)c1cccc([C@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C14H21N.ClH/c1-10(2)12-7-4-8-13(9-12)14(15)11-5-3-6-11;/h4,7-11,14H,3,5-6,15H2,1-2H3;1H/t14-;/m1./s1
InChIKeyRICOUOUNYAGAIQ-PFEQFJNWSA-N
MW239.79 g/mol
LogP4.03
Rot. Bonds3

About (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride

(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride (PubChem CID 171211996) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
PubChem CID171211996
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
SMILESCC(C)c1cccc([C@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C14H21N.ClH/c1-10(2)12-7-4-8-13(9-12)14(15)11-5-3-6-11;/h4,7-11,14H,3,5-6,15H2,1-2H3;1H/t14-;/m1./s1
InChIKeyRICOUOUNYAGAIQ-PFEQFJNWSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclohexyl-(3-propan-2-ylphenyl)methanamine
CID 171231604
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
CID 171234225
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198021

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride (CID 171211996) is (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride is CC(C)c1cccc([C@H](N)C2CCC2)c1.Cl.
What is the InChIKey of (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride?
The InChIKey is RICOUOUNYAGAIQ-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-10(2)12-7-4-8-13(9-12)14(15)11-5-3-6-11;/h4,7-11,14H,3,5-6,15H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171211996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).