1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

C18H29NO — CID 63478190

IUPAC1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc(OC)c1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-4-18(15-9-6-5-7-10-15)19-14(2)16-11-8-12-17(13-16)20-3/h8,11-15,18-19H,4-7,9-10H2,1-3H3
InChIKeyRGNSGVCLBMJYPS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds6

About 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine

1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 63478190) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID63478190
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1cccc(OC)c1)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-4-18(15-9-6-5-7-10-15)19-14(2)16-11-8-12-17(13-16)20-3/h8,11-15,18-19H,4-7,9-10H2,1-3H3
InChIKeyRGNSGVCLBMJYPS-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
2-[1-(1-cyclohexylpropylamino)ethyl]benzene-1,3-diol
CID 107710925
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
N-cyclopentyloxy-1-(3-methoxyphenyl)ethanamine
CID 83229346
4-[1-(1-cyclohexylpropylamino)ethyl]phenol
CID 62407507
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine (CID 63478190) is 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is CCC(NC(C)c1cccc(OC)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is RGNSGVCLBMJYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-18(15-9-6-5-7-10-15)19-14(2)16-11-8-12-17(13-16)20-3/h8,11-15,18-19H,4-7,9-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine?
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63478190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).