2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline

C16H21N3 — CID 103958546

IUPAC2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCC[C@@H](N)c1ccccc1N(C)Cc1ccccn1
InChIInChI=1S/C16H21N3/c1-3-15(17)14-9-4-5-10-16(14)19(2)12-13-8-6-7-11-18-13/h4-11,15H,3,12,17H2,1-2H3/t15-/m1/s1
InChIKeyKPXMJBMHIXJYJA-OAHLLOKOSA-N
MW255.37 g/mol
LogP3.13
Rot. Bonds5

About 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline

2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 103958546) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID103958546
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCC[C@@H](N)c1ccccc1N(C)Cc1ccccn1
InChIInChI=1S/C16H21N3/c1-3-15(17)14-9-4-5-10-16(14)19(2)12-13-8-6-7-11-18-13/h4-11,15H,3,12,17H2,1-2H3/t15-/m1/s1
InChIKeyKPXMJBMHIXJYJA-OAHLLOKOSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103958767
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
CID 102044881

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 103958546) is 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline is CC[C@@H](N)c1ccccc1N(C)Cc1ccccn1.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is KPXMJBMHIXJYJA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-15(17)14-9-4-5-10-16(14)19(2)12-13-8-6-7-11-18-13/h4-11,15H,3,12,17H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline?
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 103958546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).