(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride

C17H20ClN — CID 171214607

IUPAC(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H19N.ClH/c1-13(2)11-17(18)16-10-6-9-15(12-16)14-7-4-3-5-8-14;/h3-10,12,17H,1,11,18H2,2H3;1H/t17-;/m1./s1
InChIKeyGYKLDQZWUKYSJS-UNTBIKODSA-N
MW273.81 g/mol
LogP4.74
Rot. Bonds4

About (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride

(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride (PubChem CID 171214607) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
PubChem CID171214607
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride
SMILESC=C(C)C[C@@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C17H19N.ClH/c1-13(2)11-17(18)16-10-6-9-15(12-16)14-7-4-3-5-8-14;/h3-10,12,17H,1,11,18H2,2H3;1H/t17-;/m1./s1
InChIKeyGYKLDQZWUKYSJS-UNTBIKODSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-chlorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171219115
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
CID 171214579
3-[(1R)-1-amino-3-methylbut-3-enyl]benzonitrile
CID 130942039
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657
4-[(1S)-1-amino-3-methylbut-3-enyl]benzene-1,2-diol;hydrochloride
CID 171217616
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride?
The IUPAC name of (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride (CID 171214607) is (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride is C=C(C)C[C@@H](N)c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride?
The InChIKey is GYKLDQZWUKYSJS-UNTBIKODSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-13(2)11-17(18)16-10-6-9-15(12-16)14-7-4-3-5-8-14;/h3-10,12,17H,1,11,18H2,2H3;1H/t17-;/m1./s1.
What are the key properties of (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride?
(1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-(3-phenylphenyl)but-3-en-1-amine;hydrochloride is sourced from PubChem (CID 171214607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).