1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C15H25BrN2 — CID 43767790

IUPAC1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCC(NCC(C)(C)N(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-6-14(12-8-7-9-13(16)10-12)17-11-15(2,3)18(4)5/h7-10,14,17H,6,11H2,1-5H3
InChIKeyMLEXKMFQNFVSES-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.83
Rot. Bonds6

About 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43767790) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43767790
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCC(NCC(C)(C)N(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2/c1-6-14(12-8-7-9-13(16)10-12)17-11-15(2,3)18(4)5/h7-10,14,17H,6,11H2,1-5H3
InChIKeyMLEXKMFQNFVSES-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
1-[1-(3-bromophenyl)propylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904398
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
1-(3-bromophenyl)-N-(2-ethylsulfinylethyl)propan-1-amine
CID 115718977
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
1-(3-bromophenyl)-N-(2-phenylethyl)propan-1-amine
CID 43761869
1-(3-bromophenyl)-N-(thiolan-2-ylmethyl)propan-1-amine
CID 80585210
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43767790) is 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CCC(NCC(C)(C)N(C)C)c1cccc(Br)c1.
What is the InChIKey of 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is MLEXKMFQNFVSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-6-14(12-8-7-9-13(16)10-12)17-11-15(2,3)18(4)5/h7-10,14,17H,6,11H2,1-5H3.
What are the key properties of 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(3-bromophenyl)propyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43767790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).