N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine

C14H17N3 — CID 975588

IUPACN-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine
SMILESCN(C)c1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C14H17N3/c1-17(2)13-8-6-12(7-9-13)11-16-14-5-3-4-10-15-14/h3-10H,11H2,1-2H3,(H,15,16)
InChIKeyWXQWZSULCDJOPQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.76
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine

N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine (PubChem CID 975588) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine
PubChem CID975588
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine
SMILESCN(C)c1ccc(CNc2ccccn2)cc1
InChIInChI=1S/C14H17N3/c1-17(2)13-8-6-12(7-9-13)11-16-14-5-3-4-10-15-14/h3-10H,11H2,1-2H3,(H,15,16)
InChIKeyWXQWZSULCDJOPQ-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.76
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

Tripelennamine
CID 5587
Rilpivirine
CID 6451164
Tripelennamine Hydrochloride
CID 9066
Dapivirine
CID 214347
2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
N-Phenyl-N'-2-pyridinylurea
CID 221427
WZ 811
CID 11565518
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine (CID 975588) is N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine is CN(C)c1ccc(CNc2ccccn2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
The InChIKey is WXQWZSULCDJOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)13-8-6-12(7-9-13)11-16-14-5-3-4-10-15-14/h3-10H,11H2,1-2H3,(H,15,16).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 975588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).