1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

C18H29NO — CID 63476778

IUPAC1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CNC(C)C2CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-14(2)20-18-11-7-8-16(12-18)13-19-15(3)17-9-5-4-6-10-17/h7-8,11-12,14-15,17,19H,4-6,9-10,13H2,1-3H3
InChIKeyHSJSCFIGWLBAHG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds6

About 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 63476778) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID63476778
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CNC(C)C2CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-14(2)20-18-11-7-8-16(12-18)13-19-15(3)17-9-5-4-6-10-17/h7-8,11-12,14-15,17,19H,4-6,9-10,13H2,1-3H3
InChIKeyHSJSCFIGWLBAHG-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 63476778) is 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1cccc(CNC(C)C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is HSJSCFIGWLBAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-18-11-7-8-16(12-18)13-19-15(3)17-9-5-4-6-10-17/h7-8,11-12,14-15,17,19H,4-6,9-10,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63476778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).