N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline

C18H23ClN2 — CID 43281523

IUPACN-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
SMILESCCNCc1c(Cl)cccc1N(CC)Cc1ccccc1
InChIInChI=1S/C18H23ClN2/c1-3-20-13-16-17(19)11-8-12-18(16)21(4-2)14-15-9-6-5-7-10-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyXWKSNPFADMJALP-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.48
Rot. Bonds7

About N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline

N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline (PubChem CID 43281523) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
PubChem CID43281523
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
SMILESCCNCc1c(Cl)cccc1N(CC)Cc1ccccc1
InChIInChI=1S/C18H23ClN2/c1-3-20-13-16-17(19)11-8-12-18(16)21(4-2)14-15-9-6-5-7-10-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyXWKSNPFADMJALP-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79390759
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551401
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
CID 63059873
N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
CID 63551727
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]ethanamine
CID 55238285
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
3-chloro-2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 60893129
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline?
The IUPAC name of N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline (CID 43281523) is N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline.
What is the SMILES notation for N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline?
The canonical SMILES for N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline is CCNCc1c(Cl)cccc1N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline?
The InChIKey is XWKSNPFADMJALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-3-20-13-16-17(19)11-8-12-18(16)21(4-2)14-15-9-6-5-7-10-15/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline?
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline has a molecular weight of 302.85 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline is sourced from PubChem (CID 43281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).