N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline

C14H15BrN2 — CID 115212391

IUPACN-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1ccc(N)cc1
InChIInChI=1S/C14H15BrN2/c1-10-2-5-12(15)8-14(10)17-9-11-3-6-13(16)7-4-11/h2-8,17H,9,16H2,1H3
InChIKeyHKPWPKFFDQJTCG-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.95
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline

N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline (PubChem CID 115212391) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
PubChem CID115212391
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1ccc(N)cc1
InChIInChI=1S/C14H15BrN2/c1-10-2-5-12(15)8-14(10)17-9-11-3-6-13(16)7-4-11/h2-8,17H,9,16H2,1H3
InChIKeyHKPWPKFFDQJTCG-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77030275
4-bromo-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 65343098
2-bromo-4-[(5-bromo-2-methylanilino)methyl]phenol
CID 60960746
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
N-[(4-aminophenyl)methyl]-4-bromo-2-nitroaniline
CID 116650434
5-bromo-N-but-2-ynyl-2-methylaniline
CID 62311932
4-bromo-2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 65343289
N-[(1-aminocyclopropyl)methyl]-5-bromo-2-methylaniline
CID 115256437
3-[(5-bromo-2-methylanilino)methyl]benzonitrile
CID 43729513
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline (CID 115212391) is N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline is Cc1ccc(Br)cc1NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline?
The InChIKey is HKPWPKFFDQJTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-2-5-12(15)8-14(10)17-9-11-3-6-13(16)7-4-11/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline?
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline has a molecular weight of 291.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline is sourced from PubChem (CID 115212391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).