N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine

C14H20Cl2N2 — CID 65074283

IUPACN-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-2-18-9-4-5-11(8-10-18)17-13-7-3-6-12(15)14(13)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyZTSABCRWANNUHJ-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.28
Rot. Bonds3

About N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine

N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine (PubChem CID 65074283) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
PubChem CID65074283
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-2-18-9-4-5-11(8-10-18)17-13-7-3-6-12(15)14(13)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyZTSABCRWANNUHJ-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]-1-ethylazepan-4-amine
CID 65074435
N-(1-ethylazepan-4-yl)quinolin-8-amine
CID 65073031
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007
2-chloro-6-[(1-ethylpiperidin-3-yl)amino]benzenecarbothioamide
CID 62496167
N-(2,3-dichlorophenyl)-1-phenylpiperidin-4-amine
CID 106820286
N-(2,4-dimethylphenyl)-1-ethylazepan-4-amine
CID 65072468
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine (CID 65074283) is N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine?
The InChIKey is ZTSABCRWANNUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-18-9-4-5-11(8-10-18)17-13-7-3-6-12(15)14(13)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine?
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine has a molecular weight of 287.23 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65074283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).