1-amino-2-(2,6-dichlorophenyl)nonan-3-ol

C15H23Cl2NO — CID 114754167

IUPAC1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
SMILESCCCCCCC(O)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-2-3-4-5-9-14(19)11(10-18)15-12(16)7-6-8-13(15)17/h6-8,11,14,19H,2-5,9-10,18H2,1H3
InChIKeyKHCQEWWXRCXRFE-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.37
Rot. Bonds8

About 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol

1-amino-2-(2,6-dichlorophenyl)nonan-3-ol (PubChem CID 114754167) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol.

Molecular Properties

Compound Name1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
PubChem CID114754167
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-amino-2-(2,6-dichlorophenyl)nonan-3-ol
SMILESCCCCCCC(O)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-2-3-4-5-9-14(19)11(10-18)15-12(16)7-6-8-13(15)17/h6-8,11,14,19H,2-5,9-10,18H2,1H3
InChIKeyKHCQEWWXRCXRFE-UHFFFAOYSA-N
XLogP4.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(3-chlorophenyl)dodecan-3-ol
CID 65428170
1-amino-2-(4-propan-2-ylphenyl)decan-3-ol
CID 65189275
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
(1S,2S)-1-[amino(hydroxy)methoxy]-1-(2,6-dichlorophenyl)hexan-2-ol
CID 126633859
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
1-amino-2-(3,5-difluorophenyl)undecan-3-ol
CID 65427983
1-amino-2-(5-chloro-2-methoxyphenyl)octan-3-ol
CID 65190622
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
3-amino-1-(2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184824

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol?
The IUPAC name of 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol (CID 114754167) is 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol.
What is the SMILES notation for 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol?
The canonical SMILES for 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol is CCCCCCC(O)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol?
The InChIKey is KHCQEWWXRCXRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-2-3-4-5-9-14(19)11(10-18)15-12(16)7-6-8-13(15)17/h6-8,11,14,19H,2-5,9-10,18H2,1H3.
What are the key properties of 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol?
1-amino-2-(2,6-dichlorophenyl)nonan-3-ol has a molecular weight of 304.26 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,6-dichlorophenyl)nonan-3-ol is sourced from PubChem (CID 114754167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).