N-methyl-4-(methylaminomethyl)-N-propylaniline

C12H20N2 — CID 43281892

IUPACN-methyl-4-(methylaminomethyl)-N-propylaniline
SMILESCCCN(C)c1ccc(CNC)cc1
InChIInChI=1S/C12H20N2/c1-4-9-14(3)12-7-5-11(6-8-12)10-13-2/h5-8,13H,4,9-10H2,1-3H3
InChIKeyBBWUXKCIUPXTQK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-4-(methylaminomethyl)-N-propylaniline

N-methyl-4-(methylaminomethyl)-N-propylaniline (PubChem CID 43281892) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-N-propylaniline.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-N-propylaniline
PubChem CID43281892
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-4-(methylaminomethyl)-N-propylaniline
SMILESCCCN(C)c1ccc(CNC)cc1
InChIInChI=1S/C12H20N2/c1-4-9-14(3)12-7-5-11(6-8-12)10-13-2/h5-8,13H,4,9-10H2,1-3H3
InChIKeyBBWUXKCIUPXTQK-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-N-methyl-4-(methylaminomethyl)aniline
CID 63007851
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
CID 43281929
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
2-chloro-N-methyl-4-(methylaminomethyl)-N-propylaniline
CID 81149144
N,4-dimethyl-N-propylaniline
CID 14671247
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
4-[4-[4-(dimethylamino)phenyl]-1,4-bis[4-(methylaminomethyl)phenyl]cyclohexyl]-N,N-dimethylaniline
CID 153497949
N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62422195

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-N-propylaniline?
The IUPAC name of N-methyl-4-(methylaminomethyl)-N-propylaniline (CID 43281892) is N-methyl-4-(methylaminomethyl)-N-propylaniline.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-N-propylaniline?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-N-propylaniline is CCCN(C)c1ccc(CNC)cc1.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-N-propylaniline?
The InChIKey is BBWUXKCIUPXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-9-14(3)12-7-5-11(6-8-12)10-13-2/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-4-(methylaminomethyl)-N-propylaniline?
N-methyl-4-(methylaminomethyl)-N-propylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-N-propylaniline is sourced from PubChem (CID 43281892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).