4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine

C14H15BrN2 — CID 28903831

IUPAC4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
SMILESNc1cc(Br)ccc1NCCc1ccccc1
InChIInChI=1S/C14H15BrN2/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeyNLBDAWXWDLGBLK-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.69
Rot. Bonds4

About 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine

4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine (PubChem CID 28903831) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
PubChem CID28903831
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
SMILESNc1cc(Br)ccc1NCCc1ccccc1
InChIInChI=1S/C14H15BrN2/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2
InChIKeyNLBDAWXWDLGBLK-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-[2-(4-methylsulfanylphenyl)ethyl]benzene-1,2-diamine
CID 115125527
4-bromo-1-N-[2-(4-ethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115125520
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654
3-amino-4-(2-phenylethylamino)benzonitrile
CID 43518024
3-amino-4-[2-(3-bromophenyl)ethylamino]benzoic acid
CID 115127628
1-[3-amino-4-(2-phenylethylamino)phenyl]ethanone
CID 96664330
4-bromo-2-nitro-N-(2-phenylethyl)aniline
CID 24902950
4-bromo-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 55139207
4-bromo-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 65343734
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
4-bromo-1-N-[2-(2,4-dichlorophenyl)ethyl]benzene-1,2-diamine
CID 28903733
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine (CID 28903831) is 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine is Nc1cc(Br)ccc1NCCc1ccccc1.
What is the InChIKey of 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine?
The InChIKey is NLBDAWXWDLGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9,16H2.
What are the key properties of 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine?
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine has a molecular weight of 291.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine is sourced from PubChem (CID 28903831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).