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

C16H21N3 — CID 54945558

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccccc1CN
InChIInChI=1S/C16H21N3/c1-19(11-8-14-6-9-18-10-7-14)13-16-5-3-2-4-15(16)12-17/h2-7,9-10H,8,11-13,17H2,1H3
InChIKeyHJUWUCKEJWFFAY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.21
Rot. Bonds6

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

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 54945558) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID54945558
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1ccccc1CN
InChIInChI=1S/C16H21N3/c1-19(11-8-14-6-9-18-10-7-14)13-16-5-3-2-4-15(16)12-17/h2-7,9-10H,8,11-13,17H2,1H3
InChIKeyHJUWUCKEJWFFAY-UHFFFAOYSA-N
XLogP2.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N'-hydroxy-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzenecarboximidamide
CID 76883735
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 102662788
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
N-(1H-indol-4-ylmethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 86815165
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
2-[2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160100
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 54945558) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is HJUWUCKEJWFFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(11-8-14-6-9-18-10-7-14)13-16-5-3-2-4-15(16)12-17/h2-7,9-10H,8,11-13,17H2,1H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 54945558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).