N-[4-(aminomethyl)phenyl]-2-bromoaniline

C13H13BrN2 — CID 117027399

IUPACN-[4-(aminomethyl)phenyl]-2-bromoaniline
SMILESNCc1ccc(Nc2ccccc2Br)cc1
InChIInChI=1S/C13H13BrN2/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8,16H,9,15H2
InChIKeyKOISMJMLVWZNLP-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.65
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2-bromoaniline

N-[4-(aminomethyl)phenyl]-2-bromoaniline (PubChem CID 117027399) has the molecular formula C13H13BrN2 and a molecular weight of 277.17 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-bromoaniline
PubChem CID117027399
Molecular FormulaC13H13BrN2
Molecular Weight277.17 g/mol
Exact Mass276.03
IUPAC NameN-[4-(aminomethyl)phenyl]-2-bromoaniline
SMILESNCc1ccc(Nc2ccccc2Br)cc1
InChIInChI=1S/C13H13BrN2/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8,16H,9,15H2
InChIKeyKOISMJMLVWZNLP-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]anthracen-1-amine
CID 174815298
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
3,4-dibromo-N-(2-bromophenyl)aniline
CID 101290777
N-[4-(aminomethyl)phenyl]-2-propan-2-yloxyaniline
CID 117027387
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
N-[4-(2-bromoanilino)phenyl]methanesulfonamide
CID 112989037
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
N-(2-bromophenyl)-2-chloroaniline
CID 14022259
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
2-bromo-6-(2-bromoanilino)benzonitrile
CID 114880504
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238
5-N-(2-bromophenyl)pyridine-3,5-diamine
CID 104532355

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-bromoaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-bromoaniline (CID 117027399) is N-[4-(aminomethyl)phenyl]-2-bromoaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-bromoaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-bromoaniline is NCc1ccc(Nc2ccccc2Br)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-bromoaniline?
The InChIKey is KOISMJMLVWZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8,16H,9,15H2.
What are the key properties of N-[4-(aminomethyl)phenyl]-2-bromoaniline?
N-[4-(aminomethyl)phenyl]-2-bromoaniline has a molecular weight of 277.17 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-bromoaniline is sourced from PubChem (CID 117027399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).