2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

C19H31NO — CID 116770211

IUPAC2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)C1(OC)CCCCCC1
InChIInChI=1S/C19H31NO/c1-15-9-10-17(13-16(15)2)14-18(20-3)19(21-4)11-7-5-6-8-12-19/h9-10,13,18,20H,5-8,11-12,14H2,1-4H3
InChIKeyBQRVNRAGVHIWPW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.17
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine

2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (PubChem CID 116770211) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
PubChem CID116770211
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)C1(OC)CCCCCC1
InChIInChI=1S/C19H31NO/c1-15-9-10-17(13-16(15)2)14-18(20-3)19(21-4)11-7-5-6-8-12-19/h9-10,13,18,20H,5-8,11-12,14H2,1-4H3
InChIKeyBQRVNRAGVHIWPW-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770078
[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278223
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine (CID 116770211) is 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)C1(OC)CCCCCC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
The InChIKey is BQRVNRAGVHIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15-9-10-17(13-16(15)2)14-18(20-3)19(21-4)11-7-5-6-8-12-19/h9-10,13,18,20H,5-8,11-12,14H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine?
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine is sourced from PubChem (CID 116770211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).