N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine

C15H23NO — CID 54896835

IUPACN-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
SMILESCOCc1cccc(CNC2CCCCC2)c1
InChIInChI=1S/C15H23NO/c1-17-12-14-7-5-6-13(10-14)11-16-15-8-3-2-4-9-15/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
InChIKeyNEQACSIBENQQQY-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine

N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine (PubChem CID 54896835) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
PubChem CID54896835
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
SMILESCOCc1cccc(CNC2CCCCC2)c1
InChIInChI=1S/C15H23NO/c1-17-12-14-7-5-6-13(10-14)11-16-15-8-3-2-4-9-15/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3
InChIKeyNEQACSIBENQQQY-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
tert-butyl 4-[[3-(methoxymethyl)phenyl]methylamino]azepane-1-carboxylate
CID 113361531
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine (CID 54896835) is N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine is COCc1cccc(CNC2CCCCC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine?
The InChIKey is NEQACSIBENQQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-12-14-7-5-6-13(10-14)11-16-15-8-3-2-4-9-15/h5-7,10,15-16H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine?
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine has a molecular weight of 233.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 54896835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).