2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine

C15H23NO2 — CID 60874496

IUPAC2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCCC2OC)c1
InChIInChI=1S/C15H23NO2/c1-17-13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)18-2/h5-7,10,14-16H,3-4,8-9,11H2,1-2H3
InChIKeyPKGROFCOTZQHPD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds5

About 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine

2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 60874496) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID60874496
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCCC2OC)c1
InChIInChI=1S/C15H23NO2/c1-17-13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)18-2/h5-7,10,14-16H,3-4,8-9,11H2,1-2H3
InChIKeyPKGROFCOTZQHPD-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536668
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 43734304

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine (CID 60874496) is 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine is COc1cccc(CNC2CCCCC2OC)c1.
What is the InChIKey of 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PKGROFCOTZQHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-13-7-5-6-12(10-13)11-16-14-8-3-4-9-15(14)18-2/h5-7,10,14-16H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60874496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).