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

C17H25Cl2NO — CID 65185302

IUPAC3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1Cl)C(O)C1CCCCCCC1
InChIInChI=1S/C17H25Cl2NO/c18-13-8-9-14(16(19)10-13)15(11-20)17(21)12-6-4-2-1-3-5-7-12/h8-10,12,15,17,21H,1-7,11,20H2
InChIKeyCEHIGDZEVWAIGJ-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.76
Rot. Bonds4

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

3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol (PubChem CID 65185302) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
PubChem CID65185302
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol
SMILESNCC(c1ccc(Cl)cc1Cl)C(O)C1CCCCCCC1
InChIInChI=1S/C17H25Cl2NO/c18-13-8-9-14(16(19)10-13)15(11-20)17(21)12-6-4-2-1-3-5-7-12/h8-10,12,15,17,21H,1-7,11,20H2
InChIKeyCEHIGDZEVWAIGJ-UHFFFAOYSA-N
XLogP4.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-amino-1-cyclohexyl-2-(2,4-dichlorophenyl)propan-1-ol
CID 65185454
(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
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
[cyclohexyl-(2,4-dichlorophenyl)methyl]hydrazine
CID 105282000
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
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569
(1R,2S)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171270245

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol (CID 65185302) is 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol is NCC(c1ccc(Cl)cc1Cl)C(O)C1CCCCCCC1.
What is the InChIKey of 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol?
The InChIKey is CEHIGDZEVWAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c18-13-8-9-14(16(19)10-13)15(11-20)17(21)12-6-4-2-1-3-5-7-12/h8-10,12,15,17,21H,1-7,11,20H2.
What are the key properties of 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol?
3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol has a molecular weight of 330.30 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclooctyl-2-(2,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 65185302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).