N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H26BrN3 — CID 102991504

IUPACN'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H26BrN3/c1-4-19(11-5-10-18(2)3)15(12-17)13-6-8-14(16)9-7-13/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyDVOLMADBFKIDCD-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.72
Rot. Bonds8

About N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991504) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991504
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC NameN'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H26BrN3/c1-4-19(11-5-10-18(2)3)15(12-17)13-6-8-14(16)9-7-13/h6-9,15H,4-5,10-12,17H2,1-3H3
InChIKeyDVOLMADBFKIDCD-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
N'-[2-amino-1-(3-methylimidazol-4-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991893
N'-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102992025
N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992123

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991504) is N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C(CN)c1ccc(Br)cc1.
What is the InChIKey of N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is DVOLMADBFKIDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-4-19(11-5-10-18(2)3)15(12-17)13-6-8-14(16)9-7-13/h6-9,15H,4-5,10-12,17H2,1-3H3.
What are the key properties of N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 328.30 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).