1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

C15H25BrN2 — CID 62618210

IUPAC1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(Br)c1)CC(C)C
InChIInChI=1S/C15H25BrN2/c1-4-18(11-12(2)3)9-8-15(17)13-6-5-7-14(16)10-13/h5-7,10,12,15H,4,8-9,11,17H2,1-3H3
InChIKeyIPNWJUMIGLQHNA-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.82
Rot. Bonds7

About 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62618210) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62618210
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1cccc(Br)c1)CC(C)C
InChIInChI=1S/C15H25BrN2/c1-4-18(11-12(2)3)9-8-15(17)13-6-5-7-14(16)10-13/h5-7,10,12,15H,4,8-9,11,17H2,1-3H3
InChIKeyIPNWJUMIGLQHNA-UHFFFAOYSA-N
XLogP3.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 63493466
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
2-[[3-amino-3-(3-bromophenyl)propyl]-pentan-3-ylamino]ethanol
CID 62619127
3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
CID 55099043
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
N',N'-bis(2-methylpropyl)-1-phenylbutane-1,4-diamine
CID 63321844

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62618210) is 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCN(CCC(N)c1cccc(Br)c1)CC(C)C.
What is the InChIKey of 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is IPNWJUMIGLQHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-4-18(11-12(2)3)9-8-15(17)13-6-5-7-14(16)10-13/h5-7,10,12,15H,4,8-9,11,17H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62618210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).