4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline

C17H20ClN3 — CID 114848346

IUPAC4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C17H20ClN3/c1-21(12-13-6-8-19-9-7-13)17-5-2-15(18)10-14(17)11-20-16-3-4-16/h2,5-10,16,20H,3-4,11-12H2,1H3
InChIKeyYYMUYFJYJVGVKE-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.62
Rot. Bonds6

About 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline

4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 114848346) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID114848346
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C17H20ClN3/c1-21(12-13-6-8-19-9-7-13)17-5-2-15(18)10-14(17)11-20-16-3-4-16/h2,5-10,16,20H,3-4,11-12H2,1H3
InChIKeyYYMUYFJYJVGVKE-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 61422754
6-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62284157
4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 114849046

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 114848346) is 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline is CN(Cc1ccncc1)c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is YYMUYFJYJVGVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-21(12-13-6-8-19-9-7-13)17-5-2-15(18)10-14(17)11-20-16-3-4-16/h2,5-10,16,20H,3-4,11-12H2,1H3.
What are the key properties of 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline?
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 301.82 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 114848346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).