(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine

C16H25NO3 — CID 116762780

IUPAC(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2(OC)CCCCC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-18-12-7-8-13(14(11-12)19-2)15(17)16(20-3)9-5-4-6-10-16/h7-8,11,15H,4-6,9-10,17H2,1-3H3
InChIKeyXLKNRLFSJOBULM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.05
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine

(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine (PubChem CID 116762780) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
PubChem CID116762780
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2(OC)CCCCC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-18-12-7-8-13(14(11-12)19-2)15(17)16(20-3)9-5-4-6-10-16/h7-8,11,15H,4-6,9-10,17H2,1-3H3
InChIKeyXLKNRLFSJOBULM-UHFFFAOYSA-N
XLogP3.05
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
(2,4-dimethoxyphenyl)-(2-methylthiolan-2-yl)methanamine
CID 105145112
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
[(2,4-dimethoxyphenyl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256300
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine (CID 116762780) is (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine is COc1ccc(C(N)C2(OC)CCCCC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine?
The InChIKey is XLKNRLFSJOBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-12-7-8-13(14(11-12)19-2)15(17)16(20-3)9-5-4-6-10-16/h7-8,11,15H,4-6,9-10,17H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine?
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine has a molecular weight of 279.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 116762780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).