4-(chloromethyl)-N,N,3-trimethylaniline

C10H14ClN — CID 62130656

IUPAC4-(chloromethyl)-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1CCl
InChIInChI=1S/C10H14ClN/c1-8-6-10(12(2)3)5-4-9(8)7-11/h4-6H,7H2,1-3H3
InChIKeyFDGMLAGOUNMASQ-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.80
Rot. Bonds2

About 4-(chloromethyl)-N,N,3-trimethylaniline

4-(chloromethyl)-N,N,3-trimethylaniline (PubChem CID 62130656) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-N,N,3-trimethylaniline
PubChem CID62130656
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name4-(chloromethyl)-N,N,3-trimethylaniline
SMILESCc1cc(N(C)C)ccc1CCl
InChIInChI=1S/C10H14ClN/c1-8-6-10(12(2)3)5-4-9(8)7-11/h4-6H,7H2,1-3H3
InChIKeyFDGMLAGOUNMASQ-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,N,3-trimethylaniline?
The IUPAC name of 4-(chloromethyl)-N,N,3-trimethylaniline (CID 62130656) is 4-(chloromethyl)-N,N,3-trimethylaniline.
What is the SMILES notation for 4-(chloromethyl)-N,N,3-trimethylaniline?
The canonical SMILES for 4-(chloromethyl)-N,N,3-trimethylaniline is Cc1cc(N(C)C)ccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N,N,3-trimethylaniline?
The InChIKey is FDGMLAGOUNMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-8-6-10(12(2)3)5-4-9(8)7-11/h4-6H,7H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N,N,3-trimethylaniline?
4-(chloromethyl)-N,N,3-trimethylaniline has a molecular weight of 183.68 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N,3-trimethylaniline is sourced from PubChem (CID 62130656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).