[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol

C15H21Cl2NO — CID 65316349

IUPAC[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-11-3-2-6-15(8-11,10-19)18-9-12-7-13(16)4-5-14(12)17/h4-5,7,11,18-19H,2-3,6,8-10H2,1H3
InChIKeyMTDKOKSPEAQTFB-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.02
Rot. Bonds4

About [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol

[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 65316349) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID65316349
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-11-3-2-6-15(8-11,10-19)18-9-12-7-13(16)4-5-14(12)17/h4-5,7,11,18-19H,2-3,6,8-10H2,1H3
InChIKeyMTDKOKSPEAQTFB-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551321
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
[3-methyl-1-[(3,4,5-trifluorophenyl)methylamino]cyclohexyl]methanol
CID 63051065
[1-[(5-bromo-2-methoxyphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62551822
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol (CID 65316349) is [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is MTDKOKSPEAQTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-11-3-2-6-15(8-11,10-19)18-9-12-7-13(16)4-5-14(12)17/h4-5,7,11,18-19H,2-3,6,8-10H2,1H3.
What are the key properties of [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 302.24 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 65316349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).