2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline

C15H15Br2N — CID 114081198

IUPAC2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H15Br2N/c1-11(10-12-6-8-13(16)9-7-12)18-15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3
InChIKeyYCFPRCRVVDLZRP-UHFFFAOYSA-N
MW369.10 g/mol
LogP5.25
Rot. Bonds4

About 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline

2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline (PubChem CID 114081198) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
PubChem CID114081198
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccc(Br)cc1)Nc1ccccc1Br
InChIInChI=1S/C15H15Br2N/c1-11(10-12-6-8-13(16)9-7-12)18-15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3
InChIKeyYCFPRCRVVDLZRP-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-butan-2-ylaniline
CID 43194515
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CID 43762628
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
3-bromo-4-(1-phenylpropan-2-ylamino)benzonitrile
CID 78943845
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343
2-bromo-N-nonan-2-ylaniline
CID 43129843
4-[2-(2,4,6-tribromoanilino)propyl]phenol
CID 115494008
4-[2-(2-bromo-4-chloroanilino)propyl]phenol
CID 115494460
2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
3-(2-bromoanilino)-2-methylbutan-2-ol
CID 65332677

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline?
The IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline (CID 114081198) is 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline?
The canonical SMILES for 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline is CC(Cc1ccc(Br)cc1)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline?
The InChIKey is YCFPRCRVVDLZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-11(10-12-6-8-13(16)9-7-12)18-15-5-3-2-4-14(15)17/h2-9,11,18H,10H2,1H3.
What are the key properties of 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline?
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline has a molecular weight of 369.10 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114081198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).