3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine

C18H21Br2N — CID 79430471

IUPAC3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccccc1Br)c1ccc(Br)cc1
InChIInChI=1S/C18H21Br2N/c1-13(2)21-12-16(14-7-9-17(19)10-8-14)11-15-5-3-4-6-18(15)20/h3-10,13,16,21H,11-12H2,1-2H3
InChIKeyCWWDWEFIRVVADV-UHFFFAOYSA-N
MW411.18 g/mol
LogP5.54
Rot. Bonds6

About 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine

3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79430471) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID79430471
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccccc1Br)c1ccc(Br)cc1
InChIInChI=1S/C18H21Br2N/c1-13(2)21-12-16(14-7-9-17(19)10-8-14)11-15-5-3-4-6-18(15)20/h3-10,13,16,21H,11-12H2,1-2H3
InChIKeyCWWDWEFIRVVADV-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024535
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 79441963
1-bromo-2-[3-bromo-2-(4-methylphenyl)propyl]benzene
CID 79436524
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-(4-bromophenyl)-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617842
(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458206
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine (CID 79430471) is 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccccc1Br)c1ccc(Br)cc1.
What is the InChIKey of 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is CWWDWEFIRVVADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-13(2)21-12-16(14-7-9-17(19)10-8-14)11-15-5-3-4-6-18(15)20/h3-10,13,16,21H,11-12H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine?
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 411.18 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79430471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).