2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline

C16H25ClN2 — CID 104692395

IUPAC2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
SMILESCCC1CCCCCN1CCNc1ccccc1Cl
InChIInChI=1S/C16H25ClN2/c1-2-14-8-4-3-7-12-19(14)13-11-18-16-10-6-5-9-15(16)17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyNNDGAJJJNSNNJC-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline

2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline (PubChem CID 104692395) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
PubChem CID104692395
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
SMILESCCC1CCCCCN1CCNc1ccccc1Cl
InChIInChI=1S/C16H25ClN2/c1-2-14-8-4-3-7-12-19(14)13-11-18-16-10-6-5-9-15(16)17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3
InChIKeyNNDGAJJJNSNNJC-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439
2-chloro-N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]aniline
CID 55089362
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
CID 79924619
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline (CID 104692395) is 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline is CCC1CCCCCN1CCNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline?
The InChIKey is NNDGAJJJNSNNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-2-14-8-4-3-7-12-19(14)13-11-18-16-10-6-5-9-15(16)17/h5-6,9-10,14,18H,2-4,7-8,11-13H2,1H3.
What are the key properties of 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline?
2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline has a molecular weight of 280.84 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline is sourced from PubChem (CID 104692395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).