2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline

C16H18BrClN2 — CID 114861618

IUPAC2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1cc(Cl)ccc1CCN
InChIInChI=1S/C16H18BrClN2/c1-20(11-12-2-5-14(17)6-3-12)16-10-15(18)7-4-13(16)8-9-19/h2-7,10H,8-9,11,19H2,1H3
InChIKeySLNATRUQDGTELR-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline

2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline (PubChem CID 114861618) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
PubChem CID114861618
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1cc(Cl)ccc1CCN
InChIInChI=1S/C16H18BrClN2/c1-20(11-12-2-5-14(17)6-3-12)16-10-15(18)7-4-13(16)8-9-19/h2-7,10H,8-9,11,19H2,1H3
InChIKeySLNATRUQDGTELR-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 63081281
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
2-[(4-bromophenyl)methyl-methylamino]-5-chlorobenzenecarbothioamide
CID 63518893
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
2-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 63083687
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline (CID 114861618) is 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline is CN(Cc1ccc(Br)cc1)c1cc(Cl)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline?
The InChIKey is SLNATRUQDGTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-20(11-12-2-5-14(17)6-3-12)16-10-15(18)7-4-13(16)8-9-19/h2-7,10H,8-9,11,19H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline?
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline has a molecular weight of 353.69 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline is sourced from PubChem (CID 114861618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).