4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine

C16H25NO2 — CID 116926249

IUPAC4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cc(CC2CCC(N)CC2)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-11-8-16(19-3)13(10-15(11)18-2)9-12-4-6-14(17)7-5-12/h8,10,12,14H,4-7,9,17H2,1-3H3
InChIKeyVWXXQWJDKFWPPA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds4

About 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine

4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 116926249) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID116926249
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cc(CC2CCC(N)CC2)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-11-8-16(19-3)13(10-15(11)18-2)9-12-4-6-14(17)7-5-12/h8,10,12,14H,4-7,9,17H2,1-3H3
InChIKeyVWXXQWJDKFWPPA-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115213315
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
2-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116927040
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533
3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine (CID 116926249) is 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine is COc1cc(CC2CCC(N)CC2)c(OC)cc1C.
What is the InChIKey of 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is VWXXQWJDKFWPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-8-16(19-3)13(10-15(11)18-2)9-12-4-6-14(17)7-5-12/h8,10,12,14H,4-7,9,17H2,1-3H3.
What are the key properties of 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine?
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116926249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).