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

C15H21Cl2NO — CID 65185454

IUPAC3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1Cl)C(O)C1CCCCC1
InChIInChI=1S/C15H21Cl2NO/c16-11-6-7-12(14(17)8-11)13(9-18)15(19)10-4-2-1-3-5-10/h6-8,10,13,15,19H,1-5,9,18H2
InChIKeyNJWSUEQFYGMZLF-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.98
Rot. Bonds4

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

3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 65185454) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
PubChem CID65185454
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1Cl)C(O)C1CCCCC1
InChIInChI=1S/C15H21Cl2NO/c16-11-6-7-12(14(17)8-11)13(9-18)15(19)10-4-2-1-3-5-10/h6-8,10,13,15,19H,1-5,9,18H2
InChIKeyNJWSUEQFYGMZLF-UHFFFAOYSA-N
XLogP3.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185302
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
[bromo-(2,4-dichlorophenyl)methyl]cyclooctane
CID 65021234
(1R,2R)-3-amino-1-cyclohexyl-2-naphthalen-1-ylpropan-1-ol
CID 69271499
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
3-amino-2-(2-bromophenyl)-1-cyclohexylpropan-1-ol
CID 65189456
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol (CID 65185454) is 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(Cl)cc1Cl)C(O)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is NJWSUEQFYGMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c16-11-6-7-12(14(17)8-11)13(9-18)15(19)10-4-2-1-3-5-10/h6-8,10,13,15,19H,1-5,9,18H2.
What are the key properties of 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol?
3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 302.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65185454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).