2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine

C14H20Cl2N2 — CID 60788814

IUPAC2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
SMILESNCC(c1cc(Cl)cc(Cl)c1)N1CCCCCC1
InChIInChI=1S/C14H20Cl2N2/c15-12-7-11(8-13(16)9-12)14(10-17)18-5-3-1-2-4-6-18/h7-9,14H,1-6,10,17H2
InChIKeyWFCUFSLVBQSLHY-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.87
Rot. Bonds3

About 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine

2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine (PubChem CID 60788814) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
PubChem CID60788814
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
SMILESNCC(c1cc(Cl)cc(Cl)c1)N1CCCCCC1
InChIInChI=1S/C14H20Cl2N2/c15-12-7-11(8-13(16)9-12)14(10-17)18-5-3-1-2-4-6-18/h7-9,14H,1-6,10,17H2
InChIKeyWFCUFSLVBQSLHY-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(3,5-difluorophenyl)-2-piperidin-1-ylethanamine
CID 106528476
2-piperidin-1-yl-2-(3,4,5-trifluorophenyl)ethanamine
CID 63051253
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
2-(3,5-dichlorophenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102743193
(2S)-2-(3,5-dichlorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 124552555
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216072

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine (CID 60788814) is 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine is NCC(c1cc(Cl)cc(Cl)c1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine?
The InChIKey is WFCUFSLVBQSLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c15-12-7-11(8-13(16)9-12)14(10-17)18-5-3-1-2-4-6-18/h7-9,14H,1-6,10,17H2.
What are the key properties of 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine?
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 60788814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).