2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

C15H23NO — CID 43765239

IUPAC2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17-2/h7-10,14-16H,3-6,11H2,1-2H3
InChIKeyFIRFSQRBXIXVRL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.04
Rot. Bonds4

About 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine

2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 43765239) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID43765239
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17-2/h7-10,14-16H,3-6,11H2,1-2H3
InChIKeyFIRFSQRBXIXVRL-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
1-N-[(4-methylphenyl)methyl]-2-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 71502123
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine (CID 43765239) is 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is COC1CCCCC1NCc1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is FIRFSQRBXIXVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-9-13(10-8-12)11-16-14-5-3-4-6-15(14)17-2/h7-10,14-16H,3-6,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine?
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43765239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).