4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline

C17H20BrClN2 — CID 63533153

IUPAC4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)C(C)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H20BrClN2/c1-11(20)13-8-9-17(15(18)10-13)21(3)12(2)14-6-4-5-7-16(14)19/h4-12H,20H2,1-3H3
InChIKeyNUOCRNIUWDJXNS-UHFFFAOYSA-N
MW367.72 g/mol
LogP5.32
Rot. Bonds4

About 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline

4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline (PubChem CID 63533153) has the molecular formula C17H20BrClN2 and a molecular weight of 367.72 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
PubChem CID63533153
Molecular FormulaC17H20BrClN2
Molecular Weight367.72 g/mol
Exact Mass366.05
IUPAC Name4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)C(C)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H20BrClN2/c1-11(20)13-8-9-17(15(18)10-13)21(3)12(2)14-6-4-5-7-16(14)19/h4-12H,20H2,1-3H3
InChIKeyNUOCRNIUWDJXNS-UHFFFAOYSA-N
XLogP5.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.72
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline (CID 63533153) is 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline is CC(N)c1ccc(N(C)C(C)c2ccccc2Cl)c(Br)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
The InChIKey is NUOCRNIUWDJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrClN2/c1-11(20)13-8-9-17(15(18)10-13)21(3)12(2)14-6-4-5-7-16(14)19/h4-12H,20H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline?
4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline has a molecular weight of 367.72 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 63533153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).