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

C15H23BrN2 — CID 55016024

IUPAC1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C1CC1)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H23BrN2/c1-3-10-18(14-8-9-14)15(11(2)17)12-4-6-13(16)7-5-12/h4-7,11,14-15H,3,8-10,17H2,1-2H3
InChIKeyMHRLNCRPMRFTQN-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.71
Rot. Bonds6

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

1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine (PubChem CID 55016024) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
PubChem CID55016024
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
SMILESCCCN(C1CC1)C(c1ccc(Br)cc1)C(C)N
InChIInChI=1S/C15H23BrN2/c1-3-10-18(14-8-9-14)15(11(2)17)12-4-6-13(16)7-5-12/h4-7,11,14-15H,3,8-10,17H2,1-2H3
InChIKeyMHRLNCRPMRFTQN-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55019625
1-(4-bromophenyl)-1-N-butyl-1-N-cyclopropylbutane-1,2-diamine
CID 63406377
1-(2-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022683
1-(4-bromophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55015975
1-(4-bromophenyl)-1-N-methyl-1-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 63406064
1-(4-bromophenyl)-1-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 55015882
1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022414
1-(4-bromophenyl)-1-N-butyl-1-N-ethylpropane-1,2-diamine
CID 55015637
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872
1-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-(4-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-propylbutane-1,2-diamine
CID 63406372

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine (CID 55016024) is 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine is CCCN(C1CC1)C(c1ccc(Br)cc1)C(C)N.
What is the InChIKey of 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
The InChIKey is MHRLNCRPMRFTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-10-18(14-8-9-14)15(11(2)17)12-4-6-13(16)7-5-12/h4-7,11,14-15H,3,8-10,17H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine?
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.71, 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-cyclopropyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 55016024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).