2-amino-1,4-diphenylbutan-1-one;hydrochloride

C16H18ClNO — CID 66915929

IUPAC2-amino-1,4-diphenylbutan-1-one;hydrochloride
SMILESCl.NC(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H17NO.ClH/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H
InChIKeyLDQANSZRIANRIN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.25
Rot. Bonds5

About 2-amino-1,4-diphenylbutan-1-one;hydrochloride

2-amino-1,4-diphenylbutan-1-one;hydrochloride (PubChem CID 66915929) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-amino-1,4-diphenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1,4-diphenylbutan-1-one;hydrochloride
PubChem CID66915929
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-amino-1,4-diphenylbutan-1-one;hydrochloride
SMILESCl.NC(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C16H17NO.ClH/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H
InChIKeyLDQANSZRIANRIN-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
ethyl 2-[4-(2-amino-4-phenylbutanoyl)phenyl]acetate
CID 67620780
(4S)-4-amino-5-oxo-5-phenylpentanoic acid
CID 95949821
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
(2S)-2-amino-1-phenylhexan-1-one
CID 139626010
3-amino-5-phenylpentan-2-one;propane
CID 143988472
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2,3-diamino-1-phenylpropan-1-one
CID 4990100
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
CID 101155238
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-diphenylbutan-1-one;hydrochloride?
The IUPAC name of 2-amino-1,4-diphenylbutan-1-one;hydrochloride (CID 66915929) is 2-amino-1,4-diphenylbutan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1,4-diphenylbutan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1,4-diphenylbutan-1-one;hydrochloride is Cl.NC(CCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-amino-1,4-diphenylbutan-1-one;hydrochloride?
The InChIKey is LDQANSZRIANRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.ClH/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H.
What are the key properties of 2-amino-1,4-diphenylbutan-1-one;hydrochloride?
2-amino-1,4-diphenylbutan-1-one;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-diphenylbutan-1-one;hydrochloride is sourced from PubChem (CID 66915929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).