(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride

C25H28ClNO2 — CID 67808775

IUPAC(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
SMILESCl.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCc1ccccc1
InChIInChI=1S/C25H27NO2.ClH/c26-24(25(27)13-7-12-20-8-3-1-4-9-20)18-21-14-16-23(17-15-21)28-19-22-10-5-2-6-11-22;/h1-6,8-11,14-17,24H,7,12-13,18-19,26H2;1H/t24-;/m0./s1
InChIKeyBYXZWWWAMGIONT-JIDHJSLPSA-N
MW409.96 g/mol
LogP5.15
Rot. Bonds10

About (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride

(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride (PubChem CID 67808775) has the molecular formula C25H28ClNO2 and a molecular weight of 409.96 g/mol. Its IUPAC name is (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
PubChem CID67808775
Molecular FormulaC25H28ClNO2
Molecular Weight409.96 g/mol
Exact Mass409.18
IUPAC Name(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
SMILESCl.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCc1ccccc1
InChIInChI=1S/C25H27NO2.ClH/c26-24(25(27)13-7-12-20-8-3-1-4-9-20)18-21-14-16-23(17-15-21)28-19-22-10-5-2-6-11-22;/h1-6,8-11,14-17,24H,7,12-13,18-19,26H2;1H/t24-;/m0./s1
InChIKeyBYXZWWWAMGIONT-JIDHJSLPSA-N
XLogP5.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
CID 19381349
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 67871370
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
8-(4-phenylmethoxyphenoxy)octyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 16720426
2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
[1-[2-[2-azaniumyl-3-(4-phenylmethoxyphenyl)propanoyl]oxyethoxy]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]azanium
CID 140799601
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride?
The IUPAC name of (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride (CID 67808775) is (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride is Cl.N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride?
The InChIKey is BYXZWWWAMGIONT-JIDHJSLPSA-N. The full InChI is InChI=1S/C25H27NO2.ClH/c26-24(25(27)13-7-12-20-8-3-1-4-9-20)18-21-14-16-23(17-15-21)28-19-22-10-5-2-6-11-22;/h1-6,8-11,14-17,24H,7,12-13,18-19,26H2;1H/t24-;/m0./s1.
What are the key properties of (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride?
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride is sourced from PubChem (CID 67808775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).