1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine

C16H25NO — CID 54919370

IUPAC1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H25NO/c1-3-4-13-9-11-16(17,12-10-13)14-5-7-15(18-2)8-6-14/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyPNMRRSNRKURYEG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine

1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine (PubChem CID 54919370) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
PubChem CID54919370
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H25NO/c1-3-4-13-9-11-16(17,12-10-13)14-5-7-15(18-2)8-6-14/h5-8,13H,3-4,9-12,17H2,1-2H3
InChIKeyPNMRRSNRKURYEG-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine (CID 54919370) is 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine?
The InChIKey is PNMRRSNRKURYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-13-9-11-16(17,12-10-13)14-5-7-15(18-2)8-6-14/h5-8,13H,3-4,9-12,17H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine?
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 54919370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).