N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline

C15H15BrClN — CID 65030272

IUPACN-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
SMILESCC(Cl)c1ccccc1NCc1ccccc1Br
InChIInChI=1S/C15H15BrClN/c1-11(17)13-7-3-5-9-15(13)18-10-12-6-2-4-8-14(12)16/h2-9,11,18H,10H2,1H3
InChIKeyNDWHJCHDDXNQJD-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.36
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline

N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline (PubChem CID 65030272) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
PubChem CID65030272
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
SMILESCC(Cl)c1ccccc1NCc1ccccc1Br
InChIInChI=1S/C15H15BrClN/c1-11(17)13-7-3-5-9-15(13)18-10-12-6-2-4-8-14(12)16/h2-9,11,18H,10H2,1H3
InChIKeyNDWHJCHDDXNQJD-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 65030382
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(1-chloroethyl)aniline
CID 106272327
2-(1-chloroethyl)-N-[(4-iodophenyl)methyl]aniline
CID 65489958
N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65023948
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726538
2-(1-chloroethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 65029811
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 29294059
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-propan-2-ylaniline
CID 43393522
2-(1-chloroethyl)-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 103041354

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline (CID 65030272) is N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline is CC(Cl)c1ccccc1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline?
The InChIKey is NDWHJCHDDXNQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-11(17)13-7-3-5-9-15(13)18-10-12-6-2-4-8-14(12)16/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline?
N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline has a molecular weight of 324.65 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline is sourced from PubChem (CID 65030272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).