2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine

C16H24Cl2N2 — CID 104689325

IUPAC2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-2-12-7-4-3-5-10-20(12)15(11-19)16-13(17)8-6-9-14(16)18/h6,8-9,12,15H,2-5,7,10-11,19H2,1H3
InChIKeyMEZWUGASEQACKE-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.65
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine

2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine (PubChem CID 104689325) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
PubChem CID104689325
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
SMILESCCC1CCCCCN1C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H24Cl2N2/c1-2-12-7-4-3-5-10-20(12)15(11-19)16-13(17)8-6-9-14(16)18/h6,8-9,12,15H,2-5,7,10-11,19H2,1H3
InChIKeyMEZWUGASEQACKE-UHFFFAOYSA-N
XLogP4.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
CID 83977835
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
CID 104689206
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
CID 102839907
2-(2-chloro-6-fluorophenyl)-2-(3-ethylmorpholin-4-yl)ethanamine
CID 43612940

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine (CID 104689325) is 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine is CCC1CCCCCN1C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine?
The InChIKey is MEZWUGASEQACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-2-12-7-4-3-5-10-20(12)15(11-19)16-13(17)8-6-9-14(16)18/h6,8-9,12,15H,2-5,7,10-11,19H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine?
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine has a molecular weight of 315.29 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine is sourced from PubChem (CID 104689325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).