N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline

C17H20BrClN2 — CID 63551727

IUPACN-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1c(Cl)cccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C17H20BrClN2/c1-3-20-11-14-16(19)9-6-10-17(14)21(2)12-13-7-4-5-8-15(13)18/h4-10,20H,3,11-12H2,1-2H3
InChIKeyZFPPVLQYEKAGJW-UHFFFAOYSA-N
MW367.72 g/mol
LogP4.85
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline

N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline (PubChem CID 63551727) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
PubChem CID63551727
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC NameN-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1c(Cl)cccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C17H20BrClN2/c1-3-20-11-14-16(19)9-6-10-17(14)21(2)12-13-7-4-5-8-15(13)18/h4-10,20H,3,11-12H2,1-2H3
InChIKeyZFPPVLQYEKAGJW-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.72
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
3-chloro-2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 60893129
3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63866426
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
N-[(2-chlorophenyl)methyl]-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073707
N-[(2-bromophenyl)methyl]-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107379580
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 63540974
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline (CID 63551727) is N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline is CCNCc1c(Cl)cccc1N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline?
The InChIKey is ZFPPVLQYEKAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-3-20-11-14-16(19)9-6-10-17(14)21(2)12-13-7-4-5-8-15(13)18/h4-10,20H,3,11-12H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline?
N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline has a molecular weight of 367.72 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-chloro-2-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 63551727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).