4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine

C14H19NO — CID 83262633

IUPAC4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine
SMILESCOc1ccc(C)cc1C1=CCC(N)CC1
InChIInChI=1S/C14H19NO/c1-10-3-8-14(16-2)13(9-10)11-4-6-12(15)7-5-11/h3-4,8-9,12H,5-7,15H2,1-2H3
InChIKeySJYQGTCSKNSGFG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine

4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine (PubChem CID 83262633) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine
PubChem CID83262633
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine
SMILESCOc1ccc(C)cc1C1=CCC(N)CC1
InChIInChI=1S/C14H19NO/c1-10-3-8-14(16-2)13(9-10)11-4-6-12(15)7-5-11/h3-4,8-9,12H,5-7,15H2,1-2H3
InChIKeySJYQGTCSKNSGFG-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
CID 83262312
3-(2-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 64505766
5-(2-methoxy-5-methylphenyl)-1,2-thiazol-3-amine
CID 83910475
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
3-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]cyclobutan-1-amine
CID 116877941
[(5R,8S,9S)-9-(4-fluorophenyl)-3-(2-methoxy-5-methylphenyl)-1-oxaspiro[4.4]non-3-en-8-yl]methanol
CID 67673224
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55136665
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine (CID 83262633) is 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine is COc1ccc(C)cc1C1=CCC(N)CC1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine?
The InChIKey is SJYQGTCSKNSGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-3-8-14(16-2)13(9-10)11-4-6-12(15)7-5-11/h3-4,8-9,12H,5-7,15H2,1-2H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine?
4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 83262633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).