N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine

C17H27NO — CID 115464530

IUPACN-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCNCCc1ccccc1COC1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-14-7-9-17(10-8-14)19-13-16-6-4-3-5-15(16)11-12-18-2/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyOLMTUOASPUEZHH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.54
Rot. Bonds6

About N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine

N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine (PubChem CID 115464530) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
PubChem CID115464530
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
SMILESCNCCc1ccccc1COC1CCC(C)CC1
InChIInChI=1S/C17H27NO/c1-14-7-9-17(10-8-14)19-13-16-6-4-3-5-15(16)11-12-18-2/h3-6,14,17-18H,7-13H2,1-2H3
InChIKeyOLMTUOASPUEZHH-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
CID 115464549
2-methyl-N-[2-[2-(oxan-4-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 115464442
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819
[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
CID 142370670
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
N-ethyl-2-[2-[(3-methoxycyclohexyl)oxymethyl]phenyl]ethanamine
CID 115465037
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43443885
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine (CID 115464530) is N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine is CNCCc1ccccc1COC1CCC(C)CC1.
What is the InChIKey of N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
The InChIKey is OLMTUOASPUEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-7-9-17(10-8-14)19-13-16-6-4-3-5-15(16)11-12-18-2/h3-6,14,17-18H,7-13H2,1-2H3.
What are the key properties of N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine?
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine is sourced from PubChem (CID 115464530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).