N,N-dimethyl-3-phenylaniline

C14H15N — CID 12887384

IUPACN,N-dimethyl-3-phenylaniline
SMILESCN(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H15N/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyOJDQXDNHWPIWAK-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.42
Rot. Bonds2

About N,N-dimethyl-3-phenylaniline

N,N-dimethyl-3-phenylaniline (PubChem CID 12887384) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylaniline.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylaniline
PubChem CID12887384
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC NameN,N-dimethyl-3-phenylaniline
SMILESCN(C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C14H15N/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyOJDQXDNHWPIWAK-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylaniline?
The IUPAC name of N,N-dimethyl-3-phenylaniline (CID 12887384) is N,N-dimethyl-3-phenylaniline.
What is the SMILES notation for N,N-dimethyl-3-phenylaniline?
The canonical SMILES for N,N-dimethyl-3-phenylaniline is CN(C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-3-phenylaniline?
The InChIKey is OJDQXDNHWPIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-3-phenylaniline?
N,N-dimethyl-3-phenylaniline has a molecular weight of 197.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylaniline is sourced from PubChem (CID 12887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).