1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine

C19H31NO — CID 116772041

IUPAC1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1c(C)cccc1C)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-4-21-19(16-11-6-5-7-12-16)18(20)13-17-14(2)9-8-10-15(17)3/h8-10,16,18-19H,4-7,11-13,20H2,1-3H3
InChIKeyKRLLGRCPQIOYGV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.16
Rot. Bonds6

About 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine

1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine (PubChem CID 116772041) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
PubChem CID116772041
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1c(C)cccc1C)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-4-21-19(16-11-6-5-7-12-16)18(20)13-17-14(2)9-8-10-15(17)3/h8-10,16,18-19H,4-7,11-13,20H2,1-3H3
InChIKeyKRLLGRCPQIOYGV-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
CID 114932668
[2-cyclohexyl-2-ethoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105278786
1-cyclohexyl-1-ethoxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 116772099
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725277
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 116772054

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine (CID 116772041) is 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine is CCOC(C(N)Cc1c(C)cccc1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine?
The InChIKey is KRLLGRCPQIOYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-21-19(16-11-6-5-7-12-16)18(20)13-17-14(2)9-8-10-15(17)3/h8-10,16,18-19H,4-7,11-13,20H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine?
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine is sourced from PubChem (CID 116772041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).