1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine

C14H23BrN2 — CID 116905841

IUPAC1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
SMILESCN(C)C(CCC(C)(C)N)c1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-14(2,16)10-9-13(17(3)4)11-7-5-6-8-12(11)15/h5-8,13H,9-10,16H2,1-4H3
InChIKeyMSUIQJZCZZEJLW-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine

1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine (PubChem CID 116905841) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
PubChem CID116905841
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine
SMILESCN(C)C(CCC(C)(C)N)c1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-14(2,16)10-9-13(17(3)4)11-7-5-6-8-12(11)15/h5-8,13H,9-10,16H2,1-4H3
InChIKeyMSUIQJZCZZEJLW-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
methyl 4-(2-bromophenyl)-4-(dimethylamino)butanoate
CID 116910322
4-(2-bromophenyl)-2-methylpentan-2-amine
CID 83913148
1-N,1-N,4-trimethyl-1-(4-propylphenyl)pentane-1,4-diamine
CID 116905803
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950044
N'-[2-amino-1-(2-bromophenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693386
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
1-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79384269
1-N-[(2-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200673
1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The IUPAC name of 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine (CID 116905841) is 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The canonical SMILES for 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine is CN(C)C(CCC(C)(C)N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The InChIKey is MSUIQJZCZZEJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-14(2,16)10-9-13(17(3)4)11-7-5-6-8-12(11)15/h5-8,13H,9-10,16H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-N,1-N,4-trimethylpentane-1,4-diamine is sourced from PubChem (CID 116905841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).