N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine

C19H31NO — CID 81022966

IUPACN-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)(C)CC1c1ccc(OCC)cc1
InChIInChI=1S/C19H31NO/c1-5-20-14-16-11-12-19(3,4)13-18(16)15-7-9-17(10-8-15)21-6-2/h7-10,16,18,20H,5-6,11-14H2,1-4H3
InChIKeySZUYRFVUFXTKRS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.60
Rot. Bonds6

About N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine

N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine (PubChem CID 81022966) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
PubChem CID81022966
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)(C)CC1c1ccc(OCC)cc1
InChIInChI=1S/C19H31NO/c1-5-20-14-16-11-12-19(3,4)13-18(16)15-7-9-17(10-8-15)21-6-2/h7-10,16,18,20H,5-6,11-14H2,1-4H3
InChIKeySZUYRFVUFXTKRS-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine (CID 81022966) is N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)(C)CC1c1ccc(OCC)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
The InChIKey is SZUYRFVUFXTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-14-16-11-12-19(3,4)13-18(16)15-7-9-17(10-8-15)21-6-2/h7-10,16,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine?
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81022966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).