1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine

C16H25NO2 — CID 64748456

IUPAC1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-12-4-6-14(7-5-12)19-16-9-8-15(18-3)10-13(16)11-17-2/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKeyQZOYFJMZYWYPJB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds5

About 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine

1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine (PubChem CID 64748456) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
PubChem CID64748456
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OC1CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-12-4-6-14(7-5-12)19-16-9-8-15(18-3)10-13(16)11-17-2/h8-10,12,14,17H,4-7,11H2,1-3H3
InChIKeyQZOYFJMZYWYPJB-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63936014
4-[2-(bromomethyl)-4-methoxyphenoxy]oxane
CID 63937253
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
1-[5-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]-N-methylmethanamine
CID 65158967
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methoxybenzene
CID 64735146
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 43244054
N-methyl-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79776751

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine (CID 64748456) is 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OC1CCC(C)CC1.
What is the InChIKey of 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The InChIKey is QZOYFJMZYWYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-6-14(7-5-12)19-16-9-8-15(18-3)10-13(16)11-17-2/h8-10,12,14,17H,4-7,11H2,1-3H3.
What are the key properties of 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine?
1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 64748456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).