1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine

C18H29N — CID 63528977

IUPAC1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-3-19-18(17-8-6-4-5-7-9-17)14-16-12-10-15(2)11-13-16/h10-13,17-19H,3-9,14H2,1-2H3
InChIKeyHDILSBHORLDXKL-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.49
Rot. Bonds5

About 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine

1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine (PubChem CID 63528977) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
PubChem CID63528977
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-3-19-18(17-8-6-4-5-7-9-17)14-16-12-10-15(2)11-13-16/h10-13,17-19H,3-9,14H2,1-2H3
InChIKeyHDILSBHORLDXKL-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
1-cyclobutyl-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65478174
[1-cyclopentyl-2-(4-methylphenyl)ethyl]hydrazine
CID 105204429
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352
1-cyclobutyl-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 65458139
1-cycloheptyl-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 65398874
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine (CID 63528977) is 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine?
The InChIKey is HDILSBHORLDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-19-18(17-8-6-4-5-7-9-17)14-16-12-10-15(2)11-13-16/h10-13,17-19H,3-9,14H2,1-2H3.
What are the key properties of 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine?
1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63528977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).