N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine

C19H31NO — CID 81033640

IUPACN-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCCOc1ccccc1C1CC(C)CCC1CNC(C)C
InChIInChI=1S/C19H31NO/c1-5-21-19-9-7-6-8-17(19)18-12-15(4)10-11-16(18)13-20-14(2)3/h6-9,14-16,18,20H,5,10-13H2,1-4H3
InChIKeyMHPPYCFLFFAYTR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.60
Rot. Bonds6

About N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine

N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 81033640) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
PubChem CID81033640
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine
SMILESCCOc1ccccc1C1CC(C)CCC1CNC(C)C
InChIInChI=1S/C19H31NO/c1-5-21-19-9-7-6-8-17(19)18-12-15(4)10-11-16(18)13-20-14(2)3/h6-9,14-16,18,20H,5,10-13H2,1-4H3
InChIKeyMHPPYCFLFFAYTR-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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Related Compounds

N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
CID 55209398
[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81009765
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338
N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine (CID 81033640) is N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine is CCOc1ccccc1C1CC(C)CCC1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is MHPPYCFLFFAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-21-19-9-7-6-8-17(19)18-12-15(4)10-11-16(18)13-20-14(2)3/h6-9,14-16,18,20H,5,10-13H2,1-4H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine?
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine 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-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81033640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).