N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

C14H23BrN2 — CID 784059

IUPACN-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-4-17(5-2)11-10-16(3)12-13-6-8-14(15)9-7-13/h6-9H,4-5,10-12H2,1-3H3
InChIKeyZCULSVCFPSITPU-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.22
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 784059) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID784059
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-4-17(5-2)11-10-16(3)12-13-6-8-14(15)9-7-13/h6-9H,4-5,10-12H2,1-3H3
InChIKeyZCULSVCFPSITPU-UHFFFAOYSA-N
XLogP3.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (CID 784059) is N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is ZCULSVCFPSITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-17(5-2)11-10-16(3)12-13-6-8-14(15)9-7-13/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 784059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).