1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine

C16H25NO — CID 64738951

IUPAC1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H25NO/c1-12-8-9-15(10-13(12)2)18-16-7-5-4-6-14(16)11-17-3/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyPJHCBWAHJCBWTQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine

1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine (PubChem CID 64738951) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
PubChem CID64738951
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C16H25NO/c1-12-8-9-15(10-13(12)2)18-16-7-5-4-6-14(16)11-17-3/h4-7,12-13,15,17H,8-11H2,1-3H3
InChIKeyPJHCBWAHJCBWTQ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
N-[[2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64738550
2-[2-(3,4-dimethylcyclohexyl)oxyphenyl]acetic acid
CID 80742277
1-[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64739555
1-(3,4-dimethylcyclohexyl)oxy-2-methylbenzene
CID 64765260
potassium [2-(3,4-dimethylcyclohexyl)oxyphenyl]-trifluoroboranuide
CID 64738388
2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanol
CID 64738983
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 114319168
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine (CID 64738951) is 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine is CNCc1ccccc1OC1CCC(C)C(C)C1.
What is the InChIKey of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine?
The InChIKey is PJHCBWAHJCBWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-9-15(10-13(12)2)18-16-7-5-4-6-14(16)11-17-3/h4-7,12-13,15,17H,8-11H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine?
1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 64738951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).