4-(chloromethyl)-N,2-dimethyl-N-phenylaniline

C15H16ClN — CID 55221919

IUPAC4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
SMILESCc1cc(CCl)ccc1N(C)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyFYRMQPDWIBDCKR-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.50
Rot. Bonds3

About 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline

4-(chloromethyl)-N,2-dimethyl-N-phenylaniline (PubChem CID 55221919) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
PubChem CID55221919
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
SMILESCc1cc(CCl)ccc1N(C)c1ccccc1
InChIInChI=1S/C15H16ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyFYRMQPDWIBDCKR-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline?
The IUPAC name of 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline (CID 55221919) is 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline.
What is the SMILES notation for 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline?
The canonical SMILES for 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline is Cc1cc(CCl)ccc1N(C)c1ccccc1.
What is the InChIKey of 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline?
The InChIKey is FYRMQPDWIBDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-12-10-13(11-16)8-9-15(12)17(2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline?
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline has a molecular weight of 245.75 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,2-dimethyl-N-phenylaniline is sourced from PubChem (CID 55221919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).