3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

C15H21Cl2NO — CID 90970117

IUPAC3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1C(O)CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2NO/c1-18(2)9-12-11(4-3-5-15(12)19)10-6-7-13(16)14(17)8-10/h6-8,11-12,15,19H,3-5,9H2,1-2H3
InChIKeyHNMHYAKJLRSWAI-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.80
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 90970117) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID90970117
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1C(O)CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2NO/c1-18(2)9-12-11(4-3-5-15(12)19)10-6-7-13(16)14(17)8-10/h6-8,11-12,15,19H,3-5,9H2,1-2H3
InChIKeyHNMHYAKJLRSWAI-UHFFFAOYSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63511309
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CID 149258834
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
2-(3,4-dimethylphenyl)cyclopentan-1-ol
CID 2758610
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CID 19770015
(3aS,4S,7aR)-4-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
CID 22860308
3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine
CID 81415877
[2-(3,4-dichlorophenyl)cyclobutyl]methanethiol
CID 174261126
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1,1-dimethylguanidine
CID 122082463
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
CID 95784529

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 90970117) is 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1C(O)CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is HNMHYAKJLRSWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-18(2)9-12-11(4-3-5-15(12)19)10-6-7-13(16)14(17)8-10/h6-8,11-12,15,19H,3-5,9H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 302.25 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 90970117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).