N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine

C17H27NO — CID 54896550

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOCc1cccc(CNC2C(C)CCCC2C)c1
InChIInChI=1S/C17H27NO/c1-13-6-4-7-14(2)17(13)18-11-15-8-5-9-16(10-15)12-19-3/h5,8-10,13-14,17-18H,4,6-7,11-12H2,1-3H3
InChIKeyLIHCEJZTCPMUOK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.75
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine

N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 54896550) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID54896550
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
SMILESCOCc1cccc(CNC2C(C)CCCC2C)c1
InChIInChI=1S/C17H27NO/c1-13-6-4-7-14(2)17(13)18-11-15-8-5-9-16(10-15)12-19-3/h5,8-10,13-14,17-18H,4,6-7,11-12H2,1-3H3
InChIKeyLIHCEJZTCPMUOK-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.75
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]cyclohexanamine
CID 54896835
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
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-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-2-carboxamide
CID 107067835
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
N-[(4-bromophenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 60734781

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine (CID 54896550) is N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine is COCc1cccc(CNC2C(C)CCCC2C)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is LIHCEJZTCPMUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-6-4-7-14(2)17(13)18-11-15-8-5-9-16(10-15)12-19-3/h5,8-10,13-14,17-18H,4,6-7,11-12H2,1-3H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.75, 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]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 54896550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).