1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol

C18H22ClNO — CID 65184766

IUPAC1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
SMILESNCC(c1ccccc1Cl)C(O)CCCc1ccccc1
InChIInChI=1S/C18H22ClNO/c19-17-11-5-4-10-15(17)16(13-20)18(21)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,16,18,21H,6,9,12-13,20H2
InChIKeyBNVYMADGVYEACC-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.77
Rot. Bonds7

About 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol

1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol (PubChem CID 65184766) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
PubChem CID65184766
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
SMILESNCC(c1ccccc1Cl)C(O)CCCc1ccccc1
InChIInChI=1S/C18H22ClNO/c19-17-11-5-4-10-15(17)16(13-20)18(21)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,16,18,21H,6,9,12-13,20H2
InChIKeyBNVYMADGVYEACC-UHFFFAOYSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(aminomethyl)-6-methyl-1-phenylheptan-4-ol
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1-amino-2-(2,4-difluorophenyl)-5-phenylpentan-3-ol
CID 65189724
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 82793341
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
3-amino-2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-ol
CID 65184960
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol?
The IUPAC name of 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol (CID 65184766) is 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol.
What is the SMILES notation for 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol?
The canonical SMILES for 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol is NCC(c1ccccc1Cl)C(O)CCCc1ccccc1.
What is the InChIKey of 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol?
The InChIKey is BNVYMADGVYEACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-17-11-5-4-10-15(17)16(13-20)18(21)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,16,18,21H,6,9,12-13,20H2.
What are the key properties of 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol?
1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol has a molecular weight of 303.83 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol is sourced from PubChem (CID 65184766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).