2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine

C18H29NO — CID 115793056

IUPAC2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-3-19-17(14-15-10-6-4-5-7-11-15)16-12-8-9-13-18(16)20-2/h8-9,12-13,15,17,19H,3-7,10-11,14H2,1-2H3
InChIKeyCZZBQEXULRVAJL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.71
Rot. Bonds6

About 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine

2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine (PubChem CID 115793056) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
PubChem CID115793056
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
SMILESCCNC(CC1CCCCCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO/c1-3-19-17(14-15-10-6-4-5-7-11-15)16-12-8-9-13-18(16)20-2/h8-9,12-13,15,17,19H,3-7,10-11,14H2,1-2H3
InChIKeyCZZBQEXULRVAJL-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
2-cyclohexyl-N-ethyl-1-naphthalen-1-ylethanamine
CID 63416140
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
CID 105171035

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine (CID 115793056) is 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine is CCNC(CC1CCCCCC1)c1ccccc1OC.
What is the InChIKey of 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine?
The InChIKey is CZZBQEXULRVAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-17(14-15-10-6-4-5-7-11-15)16-12-8-9-13-18(16)20-2/h8-9,12-13,15,17,19H,3-7,10-11,14H2,1-2H3.
What are the key properties of 2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine?
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.71, 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-methoxyphenyl)ethanamine is sourced from PubChem (CID 115793056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).