2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine

C19H31NO — CID 114457630

IUPAC2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1cc(C)ccc1OC
InChIInChI=1S/C19H31NO/c1-4-20-18(14-16-9-7-5-6-8-10-16)17-13-15(2)11-12-19(17)21-3/h11-13,16,18,20H,4-10,14H2,1-3H3
InChIKeyBGBJUPJRDMRALG-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.01
Rot. Bonds6

About 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine

2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 114457630) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID114457630
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1cc(C)ccc1OC
InChIInChI=1S/C19H31NO/c1-4-20-18(14-16-9-7-5-6-8-10-16)17-13-15(2)11-12-19(17)21-3/h11-13,16,18,20H,4-10,14H2,1-3H3
InChIKeyBGBJUPJRDMRALG-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003
3-cyclohexyl-N-ethyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 43492217
1-(2-chloro-4-methylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 106857386
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine (CID 114457630) is 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine is CCNC(CC1CCCCCC1)c1cc(C)ccc1OC.
What is the InChIKey of 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is BGBJUPJRDMRALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20-18(14-16-9-7-5-6-8-10-16)17-13-15(2)11-12-19(17)21-3/h11-13,16,18,20H,4-10,14H2,1-3H3.
What are the key properties of 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine?
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 114457630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).