4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline

C16H21N3 — CID 63786816

IUPAC4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCC(N)Cc1ccc(N(C)Cc2ccccn2)cc1
InChIInChI=1S/C16H21N3/c1-13(17)11-14-6-8-16(9-7-14)19(2)12-15-5-3-4-10-18-15/h3-10,13H,11-12,17H2,1-2H3
InChIKeyVMOOFQKJLQZDRL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.61
Rot. Bonds5

About 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline

4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 63786816) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID63786816
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCC(N)Cc1ccc(N(C)Cc2ccccn2)cc1
InChIInChI=1S/C16H21N3/c1-13(17)11-14-6-8-16(9-7-14)19(2)12-15-5-3-4-10-18-15/h3-10,13H,11-12,17H2,1-2H3
InChIKeyVMOOFQKJLQZDRL-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63060220
4-(2-aminopropyl)-N-[4-(2-aminopropyl)phenyl]-N-phenylaniline
CID 170864530
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63816137
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 63786816) is 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline is CC(N)Cc1ccc(N(C)Cc2ccccn2)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is VMOOFQKJLQZDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(17)11-14-6-8-16(9-7-14)19(2)12-15-5-3-4-10-18-15/h3-10,13H,11-12,17H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline?
4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 63786816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).