4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine

C15H21NO — CID 142398522

IUPAC4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
SMILESCOc1ccc(C2=CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H21NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3
InChIKeyZYYNLLONKLZXEI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds3

About 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine

4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine (PubChem CID 142398522) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
PubChem CID142398522
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
SMILESCOc1ccc(C2=CCC(N(C)C)CC2)cc1
InChIInChI=1S/C15H21NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3
InChIKeyZYYNLLONKLZXEI-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 129387312
3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline
CID 58852362
benzyl N-[4-[4-(dimethylamino)cyclohexen-1-yl]phenyl]carbamate
CID 155683348
7-[4-(dimethylamino)cyclohexen-1-yl]-2-[4-methoxy-3-(2-methylcyclopropyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 123613803
2-(3,4-dimethoxyphenyl)-7-[4-(dimethylamino)cyclohexen-1-yl]-1,9a-dihydropyrido[1,2-a][1,3]azaphosphinin-4-one
CID 144885475
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 141381138
1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
CID 67868072
4-phenyl-N,N-bis(trimethylsilyl)cyclohex-3-en-1-amine
CID 87262698
(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide
CID 125489641
8-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)cyclohexen-1-yl]-9-methyl-9,10-dihydropyrido[1,2-a]azocin-6-one
CID 123342566

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine (CID 142398522) is 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine is COc1ccc(C2=CCC(N(C)C)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine?
The InChIKey is ZYYNLLONKLZXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16(2)14-8-4-12(5-9-14)13-6-10-15(17-3)11-7-13/h4,6-7,10-11,14H,5,8-9H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine?
4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 142398522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).