N,N-bis[(2-bromophenyl)methyl]aniline

C20H17Br2N — CID 90670862

IUPACN,N-bis[(2-bromophenyl)methyl]aniline
SMILESBrc1ccccc1CN(Cc1ccccc1Br)c1ccccc1
InChIInChI=1S/C20H17Br2N/c21-19-12-6-4-8-16(19)14-23(18-10-2-1-3-11-18)15-17-9-5-7-13-20(17)22/h1-13H,14-15H2
InChIKeyRHPOFRZFANOAQS-UHFFFAOYSA-N
MW431.17 g/mol
LogP6.42
Rot. Bonds5

About N,N-bis[(2-bromophenyl)methyl]aniline

N,N-bis[(2-bromophenyl)methyl]aniline (PubChem CID 90670862) has the molecular formula C20H17Br2N and a molecular weight of 431.17 g/mol. Its IUPAC name is N,N-bis[(2-bromophenyl)methyl]aniline.

Molecular Properties

Compound NameN,N-bis[(2-bromophenyl)methyl]aniline
PubChem CID90670862
Molecular FormulaC20H17Br2N
Molecular Weight431.17 g/mol
Exact Mass428.97
IUPAC NameN,N-bis[(2-bromophenyl)methyl]aniline
SMILESBrc1ccccc1CN(Cc1ccccc1Br)c1ccccc1
InChIInChI=1S/C20H17Br2N/c21-19-12-6-4-8-16(19)14-23(18-10-2-1-3-11-18)15-17-9-5-7-13-20(17)22/h1-13H,14-15H2
InChIKeyRHPOFRZFANOAQS-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.17
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-bromophenyl)methyl]aniline?
The IUPAC name of N,N-bis[(2-bromophenyl)methyl]aniline (CID 90670862) is N,N-bis[(2-bromophenyl)methyl]aniline.
What is the SMILES notation for N,N-bis[(2-bromophenyl)methyl]aniline?
The canonical SMILES for N,N-bis[(2-bromophenyl)methyl]aniline is Brc1ccccc1CN(Cc1ccccc1Br)c1ccccc1.
What is the InChIKey of N,N-bis[(2-bromophenyl)methyl]aniline?
The InChIKey is RHPOFRZFANOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Br2N/c21-19-12-6-4-8-16(19)14-23(18-10-2-1-3-11-18)15-17-9-5-7-13-20(17)22/h1-13H,14-15H2.
What are the key properties of N,N-bis[(2-bromophenyl)methyl]aniline?
N,N-bis[(2-bromophenyl)methyl]aniline has a molecular weight of 431.17 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-bromophenyl)methyl]aniline is sourced from PubChem (CID 90670862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).