[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol

C15H21Cl2NO — CID 103965941

IUPAC[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCc2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C15H21Cl2NO/c16-13-5-4-6-14(17)12(13)9-18-10-15(11-19)7-2-1-3-8-15/h4-6,18-19H,1-3,7-11H2
InChIKeyONGHDYOSSAFKEI-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.03
Rot. Bonds5

About [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol

[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 103965941) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
PubChem CID103965941
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCc2c(Cl)cccc2Cl)CCCCC1
InChIInChI=1S/C15H21Cl2NO/c16-13-5-4-6-14(17)12(13)9-18-10-15(11-19)7-2-1-3-8-15/h4-6,18-19H,1-3,7-11H2
InChIKeyONGHDYOSSAFKEI-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(2,6-dichlorophenyl)methanamine
CID 113359870
[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 113313226
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzenesulfonamide
CID 115755568
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
[1-[(2,6-dichlorophenyl)methylamino]cyclohexyl]methanol
CID 62520254
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol (CID 103965941) is [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol is OCC1(CNCc2c(Cl)cccc2Cl)CCCCC1.
What is the InChIKey of [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is ONGHDYOSSAFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c16-13-5-4-6-14(17)12(13)9-18-10-15(11-19)7-2-1-3-8-15/h4-6,18-19H,1-3,7-11H2.
What are the key properties of [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 302.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).