N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline

C16H21N3 — CID 43563488

IUPACN-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCNC(C)c1ccc(N(C)Cc2cccnc2)cc1
InChIInChI=1S/C16H21N3/c1-13(17-2)15-6-8-16(9-7-15)19(3)12-14-5-4-10-18-11-14/h4-11,13,17H,12H2,1-3H3
InChIKeyCNDKOWUPGJYFIM-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.00
Rot. Bonds5

About N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline

N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563488) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563488
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCNC(C)c1ccc(N(C)Cc2cccnc2)cc1
InChIInChI=1S/C16H21N3/c1-13(17-2)15-6-8-16(9-7-15)19(3)12-14-5-4-10-18-11-14/h4-11,13,17H,12H2,1-3H3
InChIKeyCNDKOWUPGJYFIM-UHFFFAOYSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 62908343
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132034
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline
CID 60913207
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
CID 80641227
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934682
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline (CID 43563488) is N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline is CNC(C)c1ccc(N(C)Cc2cccnc2)cc1.
What is the InChIKey of N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is CNDKOWUPGJYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(17-2)15-6-8-16(9-7-15)19(3)12-14-5-4-10-18-11-14/h4-11,13,17H,12H2,1-3H3.
What are the key properties of N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline?
N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).