3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline

C16H17Br2N — CID 107629905

IUPAC3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1cccc(Br)c1C)c1cccc(Br)c1
InChIInChI=1S/C16H17Br2N/c1-3-15(12-6-4-7-13(17)10-12)19-16-9-5-8-14(18)11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyGNGWOJOIMBWSBI-UHFFFAOYSA-N
MW383.13 g/mol
LogP6.08
Rot. Bonds4

About 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline

3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline (PubChem CID 107629905) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
PubChem CID107629905
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline
SMILESCCC(Nc1cccc(Br)c1C)c1cccc(Br)c1
InChIInChI=1S/C16H17Br2N/c1-3-15(12-6-4-7-13(17)10-12)19-16-9-5-8-14(18)11(16)2/h4-10,15,19H,3H2,1-2H3
InChIKeyGNGWOJOIMBWSBI-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
N-[1-(3-bromophenyl)propyl]-2-(trifluoromethyl)aniline
CID 43758454
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
N-[1-(3-bromophenyl)propyl]-2-propan-2-yloxyaniline
CID 43789736
N-[1-(3-bromophenyl)propyl]isoquinolin-5-amine
CID 43780492
2-[1-(3-bromophenyl)propylamino]-6-fluorobenzonitrile
CID 43778312
methyl 2-[1-(3-bromophenyl)propylamino]benzoate
CID 43774543
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline?
The IUPAC name of 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline (CID 107629905) is 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline.
What is the SMILES notation for 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline?
The canonical SMILES for 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline is CCC(Nc1cccc(Br)c1C)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline?
The InChIKey is GNGWOJOIMBWSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-3-15(12-6-4-7-13(17)10-12)19-16-9-5-8-14(18)11(16)2/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline?
3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline has a molecular weight of 383.13 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3-bromophenyl)propyl]-2-methylaniline is sourced from PubChem (CID 107629905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).