1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol

C17H25Cl2NO — CID 65190163

IUPAC1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)CCC1CCCCC1
InChIInChI=1S/C17H25Cl2NO/c18-15-8-7-13(10-16(15)19)14(11-20)17(21)9-6-12-4-2-1-3-5-12/h7-8,10,12,14,17,21H,1-6,9,11,20H2
InChIKeyYZPRPJPJSDGKDA-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.76
Rot. Bonds6

About 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol

1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol (PubChem CID 65190163) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol
PubChem CID65190163
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol
SMILESNCC(c1ccc(Cl)c(Cl)c1)C(O)CCC1CCCCC1
InChIInChI=1S/C17H25Cl2NO/c18-15-8-7-13(10-16(15)19)14(11-20)17(21)9-6-12-4-2-1-3-5-12/h7-8,10,12,14,17,21H,1-6,9,11,20H2
InChIKeyYZPRPJPJSDGKDA-UHFFFAOYSA-N
XLogP4.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
CID 65186446
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
4-amino-1-cycloheptyl-3-(3,4-dimethylphenyl)butan-2-ol
CID 114459281
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
1,2-dichloro-4-(2-cyclopentylethyl)benzene
CID 67484216
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-1-(2,5-dichlorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65190626
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol?
The IUPAC name of 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol (CID 65190163) is 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol.
What is the SMILES notation for 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol?
The canonical SMILES for 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol is NCC(c1ccc(Cl)c(Cl)c1)C(O)CCC1CCCCC1.
What is the InChIKey of 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol?
The InChIKey is YZPRPJPJSDGKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c18-15-8-7-13(10-16(15)19)14(11-20)17(21)9-6-12-4-2-1-3-5-12/h7-8,10,12,14,17,21H,1-6,9,11,20H2.
What are the key properties of 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol?
1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol has a molecular weight of 330.30 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-cyclohexyl-2-(3,4-dichlorophenyl)pentan-3-ol is sourced from PubChem (CID 65190163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).