N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine

C17H27NO2 — CID 62445094

IUPACN-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
SMILESCNCc1ccc(OCCOC2CCC(C)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-3-7-16(8-4-14)19-11-12-20-17-9-5-15(6-10-17)13-18-2/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyQYALUNSJCURYDM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds7

About N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine

N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine (PubChem CID 62445094) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
PubChem CID62445094
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
SMILESCNCc1ccc(OCCOC2CCC(C)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-3-7-16(8-4-14)19-11-12-20-17-9-5-15(6-10-17)13-18-2/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3
InChIKeyQYALUNSJCURYDM-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
1-[4-[2-(cyclopentylmethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 66324411
3-[2-(4-methylcyclohexyl)oxyethoxy]benzonitrile
CID 43289475
1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
CID 64730838
1-methyl-4-[6-[4-[4-[4-(4-methylcyclohexyl)cyclohexyl]oxybutoxy]cyclohexyl]oxyhexoxy]benzene
CID 59265557
1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62784164
N-methyl-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79776751

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine (CID 62445094) is N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine is CNCc1ccc(OCCOC2CCC(C)CC2)cc1.
What is the InChIKey of N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine?
The InChIKey is QYALUNSJCURYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-3-7-16(8-4-14)19-11-12-20-17-9-5-15(6-10-17)13-18-2/h5-6,9-10,14,16,18H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine?
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine is sourced from PubChem (CID 62445094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).