1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol

C17H20ClNO — CID 65186430

IUPAC1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol
SMILESNCC(c1cccc(Cl)c1)C(O)CCc1ccccc1
InChIInChI=1S/C17H20ClNO/c18-15-8-4-7-14(11-15)16(12-19)17(20)10-9-13-5-2-1-3-6-13/h1-8,11,16-17,20H,9-10,12,19H2
InChIKeyAMLWIJSDIQMSEW-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.38
Rot. Bonds6

About 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol

1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol (PubChem CID 65186430) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol.

Molecular Properties

Compound Name1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol
PubChem CID65186430
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol
SMILESNCC(c1cccc(Cl)c1)C(O)CCc1ccccc1
InChIInChI=1S/C17H20ClNO/c18-15-8-4-7-14(11-15)16(12-19)17(20)10-9-13-5-2-1-3-6-13/h1-8,11,16-17,20H,9-10,12,19H2
InChIKeyAMLWIJSDIQMSEW-UHFFFAOYSA-N
XLogP3.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
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1-amino-2-(2-fluorophenyl)-5-phenylpentan-3-ol
CID 65185569
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
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3-amino-1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol?
The IUPAC name of 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol (CID 65186430) is 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol.
What is the SMILES notation for 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol?
The canonical SMILES for 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol is NCC(c1cccc(Cl)c1)C(O)CCc1ccccc1.
What is the InChIKey of 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol?
The InChIKey is AMLWIJSDIQMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-15-8-4-7-14(11-15)16(12-19)17(20)10-9-13-5-2-1-3-6-13/h1-8,11,16-17,20H,9-10,12,19H2.
What are the key properties of 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol?
1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol has a molecular weight of 289.81 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-chlorophenyl)-5-phenylpentan-3-ol is sourced from PubChem (CID 65186430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).