4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol

C15H21Cl2NO — CID 68673922

IUPAC4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2NO/c1-2-15(19)7-5-14(10-18,6-8-15)11-3-4-12(16)13(17)9-11/h3-4,9,19H,2,5-8,10,18H2,1H3
InChIKeyLZGLGBOOTDKOQF-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.90
Rot. Bonds3

About 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol

4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol (PubChem CID 68673922) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol
PubChem CID68673922
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol
SMILESCCC1(O)CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2NO/c1-2-15(19)7-5-14(10-18,6-8-15)11-3-4-12(16)13(17)9-11/h3-4,9,19H,2,5-8,10,18H2,1H3
InChIKeyLZGLGBOOTDKOQF-UHFFFAOYSA-N
XLogP3.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol (CID 68673922) is 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol is CCC1(O)CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol?
The InChIKey is LZGLGBOOTDKOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-15(19)7-5-14(10-18,6-8-15)11-3-4-12(16)13(17)9-11/h3-4,9,19H,2,5-8,10,18H2,1H3.
What are the key properties of 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol?
4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol has a molecular weight of 302.24 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(3,4-dichlorophenyl)-1-ethylcyclohexan-1-ol is sourced from PubChem (CID 68673922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).