N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline

C16H21N3 — CID 105179949

IUPACN,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
SMILESCNC(Cc1cccnc1)c1cccc(N(C)C)c1
InChIInChI=1S/C16H21N3/c1-17-16(10-13-6-5-9-18-12-13)14-7-4-8-15(11-14)19(2)3/h4-9,11-12,16-17H,10H2,1-3H3
InChIKeyLGQYSCHTRZNOLJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.65
Rot. Bonds5

About N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline

N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline (PubChem CID 105179949) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
PubChem CID105179949
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline
SMILESCNC(Cc1cccnc1)c1cccc(N(C)C)c1
InChIInChI=1S/C16H21N3/c1-17-16(10-13-6-5-9-18-12-13)14-7-4-8-15(11-14)19(2)3/h4-9,11-12,16-17H,10H2,1-3H3
InChIKeyLGQYSCHTRZNOLJ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62549735
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
N-methyl-1-naphthalen-2-yl-2-pyridin-3-ylethanamine
CID 62791095
1-(3-cyclopropyloxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 114521648
N-methyl-1-(5-methylthiophen-3-yl)-2-pyridin-3-ylethanamine
CID 65104741
3-[2-(furan-2-yl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105177359
N-methyl-2-pyridin-3-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990106
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
3-[2-(2,5-dimethylphenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105101002
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
CID 113447017
3-[2-(2,4-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105117377
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline?
The IUPAC name of N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline (CID 105179949) is N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline is CNC(Cc1cccnc1)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline?
The InChIKey is LGQYSCHTRZNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-16(10-13-6-5-9-18-12-13)14-7-4-8-15(11-14)19(2)3/h4-9,11-12,16-17H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline?
N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline has a molecular weight of 255.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(methylamino)-2-pyridin-3-ylethyl]aniline is sourced from PubChem (CID 105179949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).