2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline

C16H21N3 — CID 43750131

IUPAC2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1ccccc1CN(C)C)c1ccccn1
InChIInChI=1S/C16H21N3/c1-13(15-9-6-7-11-17-15)18-16-10-5-4-8-14(16)12-19(2)3/h4-11,13,18H,12H2,1-3H3
InChIKeyPQKHENJTUKUFAP-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.32
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline

2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43750131) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43750131
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1ccccc1CN(C)C)c1ccccn1
InChIInChI=1S/C16H21N3/c1-13(15-9-6-7-11-17-15)18-16-10-5-4-8-14(16)12-19(2)3/h4-11,13,18H,12H2,1-3H3
InChIKeyPQKHENJTUKUFAP-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
2-ethoxy-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43706285
2-[(dimethylamino)methyl]-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43750190
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
5-(1-pyridin-2-ylethylamino)naphthalen-1-ol
CID 43742985
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
N-ethyl-2-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 43524451
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline (CID 43750131) is 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline is CC(Nc1ccccc1CN(C)C)c1ccccn1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is PQKHENJTUKUFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(15-9-6-7-11-17-15)18-16-10-5-4-8-14(16)12-19(2)3/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline?
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43750131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).