1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine

C19H31NO — CID 116772204

IUPAC1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
SMILESCCOC(C1CCCCC1)C(Cc1ccccc1C)NC
InChIInChI=1S/C19H31NO/c1-4-21-19(16-11-6-5-7-12-16)18(20-3)14-17-13-9-8-10-15(17)2/h8-10,13,16,18-20H,4-7,11-12,14H2,1-3H3
InChIKeyWCVPBJDVSIMTNE-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.11
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine

1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine (PubChem CID 116772204) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
PubChem CID116772204
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
SMILESCCOC(C1CCCCC1)C(Cc1ccccc1C)NC
InChIInChI=1S/C19H31NO/c1-4-21-19(16-11-6-5-7-12-16)18(20-3)14-17-13-9-8-10-15(17)2/h8-10,13,16,18-20H,4-7,11-12,14H2,1-3H3
InChIKeyWCVPBJDVSIMTNE-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-1-ethoxy-3-(furan-2-yl)-N-methylpropan-2-amine
CID 116772218
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
3-(1-benzothiophen-3-yl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723414
1-cyclopropyl-1-ethoxy-N-methyl-3-quinolin-4-ylpropan-2-amine
CID 116723331
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
[2-cyclohexyl-2-ethoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105278786
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
CID 116723444
1-cyclohexyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116772250

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine (CID 116772204) is 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine is CCOC(C1CCCCC1)C(Cc1ccccc1C)NC.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine?
The InChIKey is WCVPBJDVSIMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-21-19(16-11-6-5-7-12-16)18(20-3)14-17-13-9-8-10-15(17)2/h8-10,13,16,18-20H,4-7,11-12,14H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine?
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 116772204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).