(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride

C17H20ClN — CID 171234225

IUPAC(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(-c2ccccc2)c1)C1CCC1
InChIInChI=1S/C17H19N.ClH/c18-17(14-8-4-9-14)16-11-5-10-15(12-16)13-6-2-1-3-7-13;/h1-3,5-7,10-12,14,17H,4,8-9,18H2;1H/t17-;/m0./s1
InChIKeyAYCMSKDOJPSRJF-LMOVPXPDSA-N
MW273.81 g/mol
LogP4.58
Rot. Bonds3

About (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride

(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride (PubChem CID 171234225) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
PubChem CID171234225
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride
SMILESCl.N[C@H](c1cccc(-c2ccccc2)c1)C1CCC1
InChIInChI=1S/C17H19N.ClH/c18-17(14-8-4-9-14)16-11-5-10-15(12-16)13-6-2-1-3-7-13;/h1-3,5-7,10-12,14,17H,4,8-9,18H2;1H/t17-;/m0./s1
InChIKeyAYCMSKDOJPSRJF-LMOVPXPDSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
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(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
cyclohexyl(phenyl)methanamine
CID 11064121
(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198021
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
3-[amino(cyclobutyl)methyl]benzoic acid
CID 105457514
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(R)-cyclohexyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199156

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride (CID 171234225) is (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride is Cl.N[C@H](c1cccc(-c2ccccc2)c1)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride?
The InChIKey is AYCMSKDOJPSRJF-LMOVPXPDSA-N. The full InChI is InChI=1S/C17H19N.ClH/c18-17(14-8-4-9-14)16-11-5-10-15(12-16)13-6-2-1-3-7-13;/h1-3,5-7,10-12,14,17H,4,8-9,18H2;1H/t17-;/m0./s1.
What are the key properties of (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride?
(S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(3-phenylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171234225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).