2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine

C18H29N — CID 114457545

IUPAC2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(CC2CCCCCC2)NC)cc1
InChIInChI=1S/C18H29N/c1-3-15-10-12-17(13-11-15)18(19-2)14-16-8-6-4-5-7-9-16/h10-13,16,18-19H,3-9,14H2,1-2H3
InChIKeyWRVGBMBPXLBRHA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.87
Rot. Bonds5

About 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine

2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine (PubChem CID 114457545) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
PubChem CID114457545
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(CC2CCCCCC2)NC)cc1
InChIInChI=1S/C18H29N/c1-3-15-10-12-17(13-11-15)18(19-2)14-16-8-6-4-5-7-9-16/h10-13,16,18-19H,3-9,14H2,1-2H3
InChIKeyWRVGBMBPXLBRHA-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
[2-cyclopropyl-1-(4-ethylphenyl)ethyl]hydrazine
CID 105197252
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethanamine
CID 105121790
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine (CID 114457545) is 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(C(CC2CCCCCC2)NC)cc1.
What is the InChIKey of 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is WRVGBMBPXLBRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-15-10-12-17(13-11-15)18(19-2)14-16-8-6-4-5-7-9-16/h10-13,16,18-19H,3-9,14H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine?
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 114457545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).