[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol

C15H21Cl2NO — CID 103785005

IUPAC[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-10(13-7-6-12(16)8-14(13)17)18-15-5-3-2-4-11(15)9-19/h6-8,10-11,15,18-19H,2-5,9H2,1H3
InChIKeyOFCZJIRDPKWOFZ-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.20
Rot. Bonds4

About [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol

[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol (PubChem CID 103785005) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
PubChem CID103785005
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-10(13-7-6-12(16)8-14(13)17)18-15-5-3-2-4-11(15)9-19/h6-8,10-11,15,18-19H,2-5,9H2,1H3
InChIKeyOFCZJIRDPKWOFZ-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103784951
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
CID 103786074
[2-[1-(2,3-difluorophenyl)ethylamino]cyclohexyl]methanol
CID 103924816
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
[2-[[2-amino-1-(2,5-dichlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106359961
4-[1-(2,4-dichlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60665717
2-[1-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]naphthalen-1-ol
CID 104582701

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol (CID 103785005) is [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol is CC(NC1CCCCC1CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol?
The InChIKey is OFCZJIRDPKWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-10(13-7-6-12(16)8-14(13)17)18-15-5-3-2-4-11(15)9-19/h6-8,10-11,15,18-19H,2-5,9H2,1H3.
What are the key properties of [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol?
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol has a molecular weight of 302.24 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103785005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).