1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine

C14H23BrN2 — CID 55015975

IUPAC1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(CC)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C14H23BrN2/c1-4-10-17(5-2)14(11(3)16)12-6-8-13(15)9-7-12/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyYFPAIPHQUMEVLO-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine

1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine (PubChem CID 55015975) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
PubChem CID55015975
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(CC)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C14H23BrN2/c1-4-10-17(5-2)14(11(3)16)12-6-8-13(15)9-7-12/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyYFPAIPHQUMEVLO-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372
3-[[2-amino-1-(4-bromophenyl)butyl]-ethylamino]propanenitrile
CID 55015549
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
1-[[2-amino-1-(4-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384679
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
1-(4-methylphenyl)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 55016609

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine (CID 55015975) is 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine is CCCN(CC)C(c1ccc(Br)cc1)C(C)N.
What is the InChIKey of 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine?
The InChIKey is YFPAIPHQUMEVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-10-17(5-2)14(11(3)16)12-6-8-13(15)9-7-12/h6-9,11,14H,4-5,10,16H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine?
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 55015975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).