(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride

C17H22ClN — CID 171214579

IUPAC(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H21N.ClH/c1-2-3-12-17(18)16-11-7-10-15(13-16)14-8-5-4-6-9-14;/h4-11,13,17H,2-3,12,18H2,1H3;1H/t17-;/m1./s1
InChIKeyCRLXVCLJVSYPDR-UNTBIKODSA-N
MW275.82 g/mol
LogP4.97
Rot. Bonds5

About (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride

(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride (PubChem CID 171214579) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
PubChem CID171214579
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC Name(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H21N.ClH/c1-2-3-12-17(18)16-11-7-10-15(13-16)14-8-5-4-6-9-14;/h4-11,13,17H,2-3,12,18H2,1H3;1H/t17-;/m1./s1
InChIKeyCRLXVCLJVSYPDR-UNTBIKODSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride
CID 171271118
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(1S)-1-(3-propan-2-ylphenyl)hexan-1-amine;hydrochloride
CID 171231590
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
CID 171214607
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
chloromethane;1-phenyltridecan-1-amine
CID 175245788
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride (CID 171214579) is (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride is CCCC[C@@H](N)c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride?
The InChIKey is CRLXVCLJVSYPDR-UNTBIKODSA-N. The full InChI is InChI=1S/C17H21N.ClH/c1-2-3-12-17(18)16-11-7-10-15(13-16)14-8-5-4-6-9-14;/h4-11,13,17H,2-3,12,18H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride?
(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171214579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).