4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline

C17H23N3 — CID 62135360

IUPAC4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
SMILESCCNCc1ccc(N(C)Cc2cccnc2)cc1C
InChIInChI=1S/C17H23N3/c1-4-18-12-16-7-8-17(10-14(16)2)20(3)13-15-6-5-9-19-11-15/h5-11,18H,4,12-13H2,1-3H3
InChIKeyFWVJPHGVHGTFHW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds6

About 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline

4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 62135360) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID62135360
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline
SMILESCCNCc1ccc(N(C)Cc2cccnc2)cc1C
InChIInChI=1S/C17H23N3/c1-4-18-12-16-7-8-17(10-14(16)2)20(3)13-15-6-5-9-19-11-15/h5-11,18H,4,12-13H2,1-3H3
InChIKeyFWVJPHGVHGTFHW-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
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

N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
CID 63630730
(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864840
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026
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
N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
3-methyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzonitrile
CID 114480999
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
N-[(3-bromophenyl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 62134209

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline (CID 62135360) is 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline is CCNCc1ccc(N(C)Cc2cccnc2)cc1C.
What is the InChIKey of 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is FWVJPHGVHGTFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-18-12-16-7-8-17(10-14(16)2)20(3)13-15-6-5-9-19-11-15/h5-11,18H,4,12-13H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline?
4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,3-dimethyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 62135360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).