N,N-dimethylaniline;phenylmethanamine

C15H20N2 — CID 159620878

IUPACN,N-dimethylaniline;phenylmethanamine
SMILESCN(C)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C8H11N.C7H9N/c1-9(2)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-7H,1-2H3;1-5H,6,8H2
InChIKeyMNWHEINDSPXJFN-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.90
Rot. Bonds2

About N,N-dimethylaniline;phenylmethanamine

N,N-dimethylaniline;phenylmethanamine (PubChem CID 159620878) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-dimethylaniline;phenylmethanamine.

Molecular Properties

Compound NameN,N-dimethylaniline;phenylmethanamine
PubChem CID159620878
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN,N-dimethylaniline;phenylmethanamine
SMILESCN(C)c1ccccc1.NCc1ccccc1
InChIInChI=1S/C8H11N.C7H9N/c1-9(2)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-7H,1-2H3;1-5H,6,8H2
InChIKeyMNWHEINDSPXJFN-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dimethylaniline;phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenylmethanamine
CID 19864074
N,N-dimethylaniline
CID 70392672
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
ethane;phenylmethanamine;vanadium
CID 158602574
phenylmethanamine;dodecahydrobromide
CID 175510511
phenylmethanamine;titanium(2+)
CID 21287655
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
phenylmethanamine;trihydrobromide
CID 175177372
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;phenylmethanamine?
The IUPAC name of N,N-dimethylaniline;phenylmethanamine (CID 159620878) is N,N-dimethylaniline;phenylmethanamine.
What is the SMILES notation for N,N-dimethylaniline;phenylmethanamine?
The canonical SMILES for N,N-dimethylaniline;phenylmethanamine is CN(C)c1ccccc1.NCc1ccccc1.
What is the InChIKey of N,N-dimethylaniline;phenylmethanamine?
The InChIKey is MNWHEINDSPXJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H9N/c1-9(2)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7/h3-7H,1-2H3;1-5H,6,8H2.
What are the key properties of N,N-dimethylaniline;phenylmethanamine?
N,N-dimethylaniline;phenylmethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;phenylmethanamine is sourced from PubChem (CID 159620878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).