N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C19H31NO — CID 81027960

IUPACN-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOc1cccc(C2CCCCC2CNC(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-5-21-17-11-8-10-15(13-17)18-12-7-6-9-16(18)14-20-19(2,3)4/h8,10-11,13,16,18,20H,5-7,9,12,14H2,1-4H3
InChIKeyWATIHPATAFNDFW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.75
Rot. Bonds5

About N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81027960) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81027960
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCOc1cccc(C2CCCCC2CNC(C)(C)C)c1
InChIInChI=1S/C19H31NO/c1-5-21-17-11-8-10-15(13-17)18-12-7-6-9-16(18)14-20-19(2,3)4/h8,10-11,13,16,18,20H,5-7,9,12,14H2,1-4H3
InChIKeyWATIHPATAFNDFW-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
N-[[2-(3-ethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023463
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
N-[[2-(3-cyclopropyloxyphenyl)cyclohexyl]methyl]cyclopropanamine
CID 114523573
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81027960) is N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCOc1cccc(C2CCCCC2CNC(C)(C)C)c1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WATIHPATAFNDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-21-17-11-8-10-15(13-17)18-12-7-6-9-16(18)14-20-19(2,3)4/h8,10-11,13,16,18,20H,5-7,9,12,14H2,1-4H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81027960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).