3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine

C18H29NO — CID 65441665

IUPAC3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CCc2ccc(OC)cc2)C1
InChIInChI=1S/C18H29NO/c1-3-13-19-17-6-4-5-16(14-17)8-7-15-9-11-18(20-2)12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3
InChIKeyBQNKLWSWXDIWHL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine

3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine (PubChem CID 65441665) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
PubChem CID65441665
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(CCc2ccc(OC)cc2)C1
InChIInChI=1S/C18H29NO/c1-3-13-19-17-6-4-5-16(14-17)8-7-15-9-11-18(20-2)12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3
InChIKeyBQNKLWSWXDIWHL-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 784361
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
CID 65443445
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472958

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine (CID 65441665) is 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine is CCCNC1CCCC(CCc2ccc(OC)cc2)C1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine?
The InChIKey is BQNKLWSWXDIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-19-17-6-4-5-16(14-17)8-7-15-9-11-18(20-2)12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine?
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 65441665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).