1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine

C20H33NO — CID 116772454

IUPAC1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)C(OCC)C1CCCCC1
InChIInChI=1S/C20H33NO/c1-3-15-21-19(16-17-11-7-5-8-12-17)20(22-4-2)18-13-9-6-10-14-18/h5,7-8,11-12,18-21H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyCFIYCMRHVHLKOO-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.58
Rot. Bonds9

About 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine

1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine (PubChem CID 116772454) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
PubChem CID116772454
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)C(OCC)C1CCCCC1
InChIInChI=1S/C20H33NO/c1-3-15-21-19(16-17-11-7-5-8-12-17)20(22-4-2)18-13-9-6-10-14-18/h5,7-8,11-12,18-21H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyCFIYCMRHVHLKOO-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
[3-(4-chlorophenyl)-1-cyclohexyl-1-ethoxypropan-2-yl]hydrazine
CID 105278948
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-cyclohexyl-3-(furan-2-yl)-1-methoxy-N-propylpropan-2-amine
CID 116771852
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
1-cyclohexyl-1-ethoxy-3-(furan-2-yl)-N-methylpropan-2-amine
CID 116772218
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine (CID 116772454) is 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine?
The InChIKey is CFIYCMRHVHLKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-15-21-19(16-17-11-7-5-8-12-17)20(22-4-2)18-13-9-6-10-14-18/h5,7-8,11-12,18-21H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine?
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine has a molecular weight of 303.49 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 116772454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).