2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine

C18H30N2 — CID 104689217

IUPAC2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C18H30N2/c1-4-17-8-6-5-7-11-20(17)18(13-19)16-10-9-14(2)15(3)12-16/h9-10,12,17-18H,4-8,11,13,19H2,1-3H3
InChIKeySNRIISLYQJZKJG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.96
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine

2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine (PubChem CID 104689217) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
PubChem CID104689217
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1ccc(C)c(C)c1
InChIInChI=1S/C18H30N2/c1-4-17-8-6-5-7-11-20(17)18(13-19)16-10-9-14(2)15(3)12-16/h9-10,12,17-18H,4-8,11,13,19H2,1-3H3
InChIKeySNRIISLYQJZKJG-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
CID 104689206
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(3-bromo-4-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 105405159
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 60916800
2-(2,5-dimethylphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54978141
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine (CID 104689217) is 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine is CCC1CCCCCN1C(CN)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine?
The InChIKey is SNRIISLYQJZKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-17-8-6-5-7-11-20(17)18(13-19)16-10-9-14(2)15(3)12-16/h9-10,12,17-18H,4-8,11,13,19H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine?
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine is sourced from PubChem (CID 104689217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).