1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine

C15H23BrN2 — CID 62618564

IUPAC1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
SMILESCC(C1CC1)N(C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-11(12-6-7-12)18(2)9-8-15(17)13-4-3-5-14(16)10-13/h3-5,10-12,15H,6-9,17H2,1-2H3
InChIKeyZHZHWTKNTHBYEA-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.57
Rot. Bonds6

About 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine

1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine (PubChem CID 62618564) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
PubChem CID62618564
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
SMILESCC(C1CC1)N(C)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-11(12-6-7-12)18(2)9-8-15(17)13-4-3-5-14(16)10-13/h3-5,10-12,15H,6-9,17H2,1-2H3
InChIKeyZHZHWTKNTHBYEA-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 55098457
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
CID 55099043
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-amine
CID 62619458

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine (CID 62618564) is 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine is CC(C1CC1)N(C)CCC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ZHZHWTKNTHBYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(12-6-7-12)18(2)9-8-15(17)13-4-3-5-14(16)10-13/h3-5,10-12,15H,6-9,17H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine?
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 311.27 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-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62618564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).