[2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol

C16H23Cl2NO — CID 58954861

IUPAC[2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol
SMILESCCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C16H23Cl2NO/c1-2-19-11-16(8-4-3-5-13(16)10-20)12-6-7-14(17)15(18)9-12/h6-7,9,13,19-20H,2-5,8,10-11H2,1H3
InChIKeyMILNRKCCACSUTQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.02
Rot. Bonds5

About [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol

[2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol (PubChem CID 58954861) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol
PubChem CID58954861
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name[2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol
SMILESCCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO
InChIInChI=1S/C16H23Cl2NO/c1-2-19-11-16(8-4-3-5-13(16)10-20)12-6-7-14(17)15(18)9-12/h6-7,9,13,19-20H,2-5,8,10-11H2,1H3
InChIKeyMILNRKCCACSUTQ-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol (CID 58954861) is [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol is CCNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1CO.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol?
The InChIKey is MILNRKCCACSUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-19-11-16(8-4-3-5-13(16)10-20)12-6-7-14(17)15(18)9-12/h6-7,9,13,19-20H,2-5,8,10-11H2,1H3.
What are the key properties of [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol?
[2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol has a molecular weight of 316.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-(ethylaminomethyl)cyclohexyl]methanol is sourced from PubChem (CID 58954861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).