2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol

C14H19Cl2NO — CID 107310642

IUPAC2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2cccc(Cl)c2Cl)CCCCC1O
InChIInChI=1S/C14H19Cl2NO/c15-11-5-3-4-10(13(11)16)8-14(9-17)7-2-1-6-12(14)18/h3-5,12,18H,1-2,6-9,17H2
InChIKeyBSOCYAPXLFLVHP-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.42
Rot. Bonds3

About 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol (PubChem CID 107310642) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
PubChem CID107310642
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2cccc(Cl)c2Cl)CCCCC1O
InChIInChI=1S/C14H19Cl2NO/c15-11-5-3-4-10(13(11)16)8-14(9-17)7-2-1-6-12(14)18/h3-5,12,18H,1-2,6-9,17H2
InChIKeyBSOCYAPXLFLVHP-UHFFFAOYSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
CID 65395688
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol
CID 65395268
[2-[(2,3-dichlorophenyl)methyl]thiolan-2-yl]methanamine
CID 107310660
2-(aminomethyl)-2-[(2-bromo-4-nitrophenyl)methyl]cyclohexan-1-ol
CID 65393397
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82870793
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
2-(aminomethyl)-2-ethylcyclohexan-1-ol
CID 65395057
2-(aminomethyl)-2-[(3-bromo-4-fluorophenyl)methyl]cyclohexan-1-ol
CID 65394850
1-[(2,3-dichlorophenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 107307514
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
CID 65394644

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol (CID 107310642) is 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol is NCC1(Cc2cccc(Cl)c2Cl)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is BSOCYAPXLFLVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-11-5-3-4-10(13(11)16)8-14(9-17)7-2-1-6-12(14)18/h3-5,12,18H,1-2,6-9,17H2.
What are the key properties of 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 288.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 107310642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).