2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline

C16H15Br2N — CID 79979427

IUPAC2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline
SMILESBrc1ccc(NCc2ccc(C3CC3)cc2)c(Br)c1
InChIInChI=1S/C16H15Br2N/c17-14-7-8-16(15(18)9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeyYYWQIXMNINBSLL-UHFFFAOYSA-N
MW381.11 g/mol
LogP5.70
Rot. Bonds4

About 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline

2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline (PubChem CID 79979427) has the molecular formula C16H15Br2N and a molecular weight of 381.11 g/mol. Its IUPAC name is 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline
PubChem CID79979427
Molecular FormulaC16H15Br2N
Molecular Weight381.11 g/mol
Exact Mass378.96
IUPAC Name2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline
SMILESBrc1ccc(NCc2ccc(C3CC3)cc2)c(Br)c1
InChIInChI=1S/C16H15Br2N/c17-14-7-8-16(15(18)9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2
InChIKeyYYWQIXMNINBSLL-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.11
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-N-[(4-cyclopropylphenyl)methyl]aniline
CID 79983845
5-bromo-N-[(4-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979064
3-bromo-4-[(4-cyclopropylphenyl)methylamino]benzonitrile
CID 79978703
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 103411352
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-methylaniline
CID 107629796
2-bromo-N-[(4-cyclopropylphenyl)methyl]-5-methoxyaniline
CID 79984094
N-[(4-cyclopropylphenyl)methyl]-2,4-dimethylaniline
CID 79978662
3-bromo-5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968459
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 43683051
3-bromo-N-[(4-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 104776123
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline (CID 79979427) is 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline is Brc1ccc(NCc2ccc(C3CC3)cc2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline?
The InChIKey is YYWQIXMNINBSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2N/c17-14-7-8-16(15(18)9-14)19-10-11-1-3-12(4-2-11)13-5-6-13/h1-4,7-9,13,19H,5-6,10H2.
What are the key properties of 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline?
2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline has a molecular weight of 381.11 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(4-cyclopropylphenyl)methyl]aniline is sourced from PubChem (CID 79979427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).