N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine

C16H20ClN3 — CID 102662788

IUPACN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-20(9-6-13-4-7-19-8-5-13)12-15-3-2-14(11-18)10-16(15)17/h2-5,7-8,10H,6,9,11-12,18H2,1H3
InChIKeyZMCVDUAMHJTBBP-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.87
Rot. Bonds6

About N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine

N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 102662788) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID102662788
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C16H20ClN3/c1-20(9-6-13-4-7-19-8-5-13)12-15-3-2-14(11-18)10-16(15)17/h2-5,7-8,10H,6,9,11-12,18H2,1H3
InChIKeyZMCVDUAMHJTBBP-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzonitrile
CID 102665321
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 54945558
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 102663097
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
[3-chloro-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]methanamine
CID 102662887
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 107454398
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 102662788) is N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1ccc(CN)cc1Cl.
What is the InChIKey of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is ZMCVDUAMHJTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-20(9-6-13-4-7-19-8-5-13)12-15-3-2-14(11-18)10-16(15)17/h2-5,7-8,10H,6,9,11-12,18H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 289.81 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 102662788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).