1-(2,5-dibromophenyl)-2-propylpentan-1-amine

C14H21Br2N — CID 82984674

IUPAC1-(2,5-dibromophenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Br)ccc1Br
InChIInChI=1S/C14H21Br2N/c1-3-5-10(6-4-2)14(17)12-9-11(15)7-8-13(12)16/h7-10,14H,3-6,17H2,1-2H3
InChIKeyBSRIDIOSVNYNTR-UHFFFAOYSA-N
MW363.14 g/mol
LogP5.43
Rot. Bonds6

About 1-(2,5-dibromophenyl)-2-propylpentan-1-amine

1-(2,5-dibromophenyl)-2-propylpentan-1-amine (PubChem CID 82984674) has the molecular formula C14H21Br2N and a molecular weight of 363.14 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-2-propylpentan-1-amine
PubChem CID82984674
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name1-(2,5-dibromophenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Br)ccc1Br
InChIInChI=1S/C14H21Br2N/c1-3-5-10(6-4-2)14(17)12-9-11(15)7-8-13(12)16/h7-10,14H,3-6,17H2,1-2H3
InChIKeyBSRIDIOSVNYNTR-UHFFFAOYSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.14
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibromo-2-(1-bromo-2-propylpentyl)benzene
CID 82988110
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
2-(aminomethyl)-1-(2,4-dibromophenyl)pentan-1-ol
CID 107955052
1-(5-bromo-2-methylthiophen-3-yl)-2-propylpentan-1-amine
CID 82984366
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)pentan-2-ol;hydrochloride
CID 171262038
(1R)-1-(2,5-dibromophenyl)-2-fluoroethanamine;hydrochloride
CID 171235024
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088
1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260
1-(2,5-dibromophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43482220

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-2-propylpentan-1-amine?
The IUPAC name of 1-(2,5-dibromophenyl)-2-propylpentan-1-amine (CID 82984674) is 1-(2,5-dibromophenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(2,5-dibromophenyl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromophenyl)-2-propylpentan-1-amine?
The InChIKey is BSRIDIOSVNYNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-3-5-10(6-4-2)14(17)12-9-11(15)7-8-13(12)16/h7-10,14H,3-6,17H2,1-2H3.
What are the key properties of 1-(2,5-dibromophenyl)-2-propylpentan-1-amine?
1-(2,5-dibromophenyl)-2-propylpentan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 82984674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).