3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine

C15H25BrN2 — CID 54963370

IUPAC3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCC(NC(C)CCN(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-5-15(13-7-6-8-14(16)11-13)17-12(2)9-10-18(3)4/h6-8,11-12,15,17H,5,9-10H2,1-4H3
InChIKeyWBLKIUHYGOSWPT-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.83
Rot. Bonds7

About 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 54963370) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID54963370
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCC(NC(C)CCN(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-5-15(13-7-6-8-14(16)11-13)17-12(2)9-10-18(3)4/h6-8,11-12,15,17H,5,9-10H2,1-4H3
InChIKeyWBLKIUHYGOSWPT-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
N-[1-(3-bromophenyl)propyl]pent-4-yn-2-amine
CID 115725334
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006
1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
1-(3-bromophenyl)-N,N'-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 62618729
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 54963370) is 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine is CCC(NC(C)CCN(C)C)c1cccc(Br)c1.
What is the InChIKey of 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is WBLKIUHYGOSWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-15(13-7-6-8-14(16)11-13)17-12(2)9-10-18(3)4/h6-8,11-12,15,17H,5,9-10H2,1-4H3.
What are the key properties of 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 54963370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).