1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine

C15H23BrN2 — CID 62617872

IUPAC1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C15H23BrN2/c1-2-10-18(14-7-8-14)11-9-15(17)12-3-5-13(16)6-4-12/h3-6,14-15H,2,7-11,17H2,1H3
InChIKeyNMQJYYPPYFUCPR-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.71
Rot. Bonds7

About 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine

1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine (PubChem CID 62617872) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
PubChem CID62617872
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(N)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C15H23BrN2/c1-2-10-18(14-7-8-14)11-9-15(17)12-3-5-13(16)6-4-12/h3-6,14-15H,2,7-11,17H2,1H3
InChIKeyNMQJYYPPYFUCPR-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(4-bromophenyl)-N'-butyl-N'-cyclopropylpropane-1,3-diamine
CID 62619631
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 82780047
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine (CID 62617872) is 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine is CCCN(CCC(N)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine?
The InChIKey is NMQJYYPPYFUCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-10-18(14-7-8-14)11-9-15(17)12-3-5-13(16)6-4-12/h3-6,14-15H,2,7-11,17H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine?
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62617872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).