1-chloro-N,N-dimethyl-1-phenylmethanamine

C9H11ClN- — CID 134900800

IUPAC1-chloro-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)[C-](Cl)c1ccccc1
InChIInChI=1S/C9H11ClN/c1-11(2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/q-1
InChIKeyUVFIFVZZFNTCOL-UHFFFAOYSA-N
MW168.65 g/mol
LogP2.32
Rot. Bonds2

About 1-chloro-N,N-dimethyl-1-phenylmethanamine

1-chloro-N,N-dimethyl-1-phenylmethanamine (PubChem CID 134900800) has the molecular formula C9H11ClN- and a molecular weight of 168.65 g/mol. Its IUPAC name is 1-chloro-N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-chloro-N,N-dimethyl-1-phenylmethanamine
PubChem CID134900800
Molecular FormulaC9H11ClN-
Molecular Weight168.65 g/mol
Exact Mass168.06
IUPAC Name1-chloro-N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)[C-](Cl)c1ccccc1
InChIInChI=1S/C9H11ClN/c1-11(2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/q-1
InChIKeyUVFIFVZZFNTCOL-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.65
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 1-chloro-N,N-dimethyl-1-phenylmethanamine (CID 134900800) is 1-chloro-N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 1-chloro-N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 1-chloro-N,N-dimethyl-1-phenylmethanamine is CN(C)[C-](Cl)c1ccccc1.
What is the InChIKey of 1-chloro-N,N-dimethyl-1-phenylmethanamine?
The InChIKey is UVFIFVZZFNTCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN/c1-11(2)9(10)8-6-4-3-5-7-8/h3-7H,1-2H3/q-1.
What are the key properties of 1-chloro-N,N-dimethyl-1-phenylmethanamine?
1-chloro-N,N-dimethyl-1-phenylmethanamine has a molecular weight of 168.65 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 134900800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).