5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline

C16H27ClN2 — CID 114852451

IUPAC5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
SMILESCCNCc1ccc(Cl)cc1N(CC)CC(C)CC
InChIInChI=1S/C16H27ClN2/c1-5-13(4)12-19(7-3)16-10-15(17)9-8-14(16)11-18-6-2/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyVJPKVUYCPGLLEA-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.32
Rot. Bonds8

About 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline

5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline (PubChem CID 114852451) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
PubChem CID114852451
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline
SMILESCCNCc1ccc(Cl)cc1N(CC)CC(C)CC
InChIInChI=1S/C16H27ClN2/c1-5-13(4)12-19(7-3)16-10-15(17)9-8-14(16)11-18-6-2/h8-10,13,18H,5-7,11-12H2,1-4H3
InChIKeyVJPKVUYCPGLLEA-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
2-[5-chloro-2-(ethylaminomethyl)-N-(2-methylpropyl)anilino]acetamide
CID 114850135
4-chloro-2-[ethyl(2-methylbutyl)amino]benzenecarbothioamide
CID 79470232
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
N-butan-2-yl-5-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]aniline
CID 114848070
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
5-chloro-2-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methylaniline
CID 114850518
4-bromo-2-(ethylaminomethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 114061749
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline?
The IUPAC name of 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline (CID 114852451) is 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline?
The canonical SMILES for 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline is CCNCc1ccc(Cl)cc1N(CC)CC(C)CC.
What is the InChIKey of 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline?
The InChIKey is VJPKVUYCPGLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-5-13(4)12-19(7-3)16-10-15(17)9-8-14(16)11-18-6-2/h8-10,13,18H,5-7,11-12H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline?
5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline has a molecular weight of 282.86 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-(ethylaminomethyl)-N-(2-methylbutyl)aniline is sourced from PubChem (CID 114852451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).