4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline

C15H18ClN3 — CID 61450760

IUPAC4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccncc1)Cc1cc(N)ccc1Cl
InChIInChI=1S/C15H18ClN3/c1-2-19(10-12-5-7-18-8-6-12)11-13-9-14(17)3-4-15(13)16/h3-9H,2,10-11,17H2,1H3
InChIKeyFYWJFVMFBZYQHS-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.34
Rot. Bonds5

About 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline

4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline (PubChem CID 61450760) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
PubChem CID61450760
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccncc1)Cc1cc(N)ccc1Cl
InChIInChI=1S/C15H18ClN3/c1-2-19(10-12-5-7-18-8-6-12)11-13-9-14(17)3-4-15(13)16/h3-9H,2,10-11,17H2,1H3
InChIKeyFYWJFVMFBZYQHS-UHFFFAOYSA-N
XLogP3.34
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62891299
5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79712982
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
4-[[(3-chloro-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 102856212
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
CID 61450798
4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline
CID 115913110
6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 79242738
1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61449476
N-[(2-prop-2-enoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 46998544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline (CID 61450760) is 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline is CCN(Cc1ccncc1)Cc1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The InChIKey is FYWJFVMFBZYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-19(10-12-5-7-18-8-6-12)11-13-9-14(17)3-4-15(13)16/h3-9H,2,10-11,17H2,1H3.
What are the key properties of 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 61450760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).