2-(chloromethyl)-N-phosphorosoaniline

C7H7ClNOP — CID 118202190

IUPAC2-(chloromethyl)-N-phosphorosoaniline
SMILESO=PNc1ccccc1CCl
InChIInChI=1S/C7H7ClNOP/c8-5-6-3-1-2-4-7(6)9-11-10/h1-4H,5H2,(H,9,10)
InChIKeySXPTVNQOCKSPAL-UHFFFAOYSA-N
MW187.57 g/mol
LogP3.04
Rot. Bonds3

About 2-(chloromethyl)-N-phosphorosoaniline

2-(chloromethyl)-N-phosphorosoaniline (PubChem CID 118202190) has the molecular formula C7H7ClNOP and a molecular weight of 187.57 g/mol. Its IUPAC name is 2-(chloromethyl)-N-phosphorosoaniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-phosphorosoaniline
PubChem CID118202190
Molecular FormulaC7H7ClNOP
Molecular Weight187.57 g/mol
Exact Mass187.00
IUPAC Name2-(chloromethyl)-N-phosphorosoaniline
SMILESO=PNc1ccccc1CCl
InChIInChI=1S/C7H7ClNOP/c8-5-6-3-1-2-4-7(6)9-11-10/h1-4H,5H2,(H,9,10)
InChIKeySXPTVNQOCKSPAL-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(chloromethyl)aniline
CID 15078992
2-(chloromethyl)-N-cyclopropylaniline
CID 175153932
2-(chloromethyl)-N-(3-methylsulfonylpropyl)aniline
CID 65023518
N-[2-(chloromethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 65030893
1-(chloromethyl)-2-ethylbenzene
CID 524243
N-[2-(chloromethyl)phenyl]-2,2-dimethylbutanamide
CID 114298325
2-(chloromethyl)-N-[4-(difluoromethylsulfonyl)phenyl]aniline
CID 65027168
2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
CID 65023637
N-[2-(chloromethyl)phenyl]-2-cyclopropylacetamide
CID 114298279
N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)aniline
CID 106730990
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-phosphorosoaniline?
The IUPAC name of 2-(chloromethyl)-N-phosphorosoaniline (CID 118202190) is 2-(chloromethyl)-N-phosphorosoaniline.
What is the SMILES notation for 2-(chloromethyl)-N-phosphorosoaniline?
The canonical SMILES for 2-(chloromethyl)-N-phosphorosoaniline is O=PNc1ccccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-phosphorosoaniline?
The InChIKey is SXPTVNQOCKSPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNOP/c8-5-6-3-1-2-4-7(6)9-11-10/h1-4H,5H2,(H,9,10).
What are the key properties of 2-(chloromethyl)-N-phosphorosoaniline?
2-(chloromethyl)-N-phosphorosoaniline has a molecular weight of 187.57 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-phosphorosoaniline is sourced from PubChem (CID 118202190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).