N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C19H31NO — CID 63510236

IUPACN-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(C2(CNC(C)(C)C)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-5-21-17-11-9-16(10-12-17)19(13-7-6-8-14-19)15-20-18(2,3)4/h9-12,20H,5-8,13-15H2,1-4H3
InChIKeySDEIHCHSVRTBDJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.68
Rot. Bonds5

About N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 63510236) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID63510236
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(C2(CNC(C)(C)C)CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-5-21-17-11-9-16(10-12-17)19(13-7-6-8-14-19)15-20-18(2,3)4/h9-12,20H,5-8,13-15H2,1-4H3
InChIKeySDEIHCHSVRTBDJ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008825
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511073
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63507679
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
2-methyl-N-[[1-(2-phenoxyethyl)cyclopentyl]methyl]propan-2-amine
CID 62725403
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
[1-(4-ethoxyphenyl)cyclobutyl] formate
CID 57134762
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 63510236) is N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCOc1ccc(C2(CNC(C)(C)C)CCCCC2)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SDEIHCHSVRTBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-21-17-11-9-16(10-12-17)19(13-7-6-8-14-19)15-20-18(2,3)4/h9-12,20H,5-8,13-15H2,1-4H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63510236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).