3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine

C17H27NO2 — CID 103904067

IUPAC3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCCC(OC)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-17(13-8-10-15(19-2)11-9-13)18-14-6-5-7-16(12-14)20-3/h8-11,14,16-18H,4-7,12H2,1-3H3
InChIKeyDGMSBLOQEJMFAR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine

3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine (PubChem CID 103904067) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
PubChem CID103904067
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCCC(OC)C1)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-17(13-8-10-15(19-2)11-9-13)18-14-6-5-7-16(12-14)20-3/h8-11,14,16-18H,4-7,12H2,1-3H3
InChIKeyDGMSBLOQEJMFAR-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002
N-[1-(4-methoxyphenyl)propyl]-4-methylthiolan-3-amine
CID 114285157
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine (CID 103904067) is 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine is CCC(NC1CCCC(OC)C1)c1ccc(OC)cc1.
What is the InChIKey of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine?
The InChIKey is DGMSBLOQEJMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(13-8-10-15(19-2)11-9-13)18-14-6-5-7-16(12-14)20-3/h8-11,14,16-18H,4-7,12H2,1-3H3.
What are the key properties of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine?
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 103904067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).