N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

C16H20N2 — CID 4761

💊View drug profile → pheniramine
IUPACN,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKeyIJHNSHDBIRRJRN-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.17
Rot. Bonds5

About N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine

N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 4761) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
PubChem CID4761
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKeyIJHNSHDBIRRJRN-UHFFFAOYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Paraquat dichloride
CID 15938
(+-)-Chlorpheniramine
CID 2725
Ethionamide
CID 2761171
Triprolidine
CID 5282443
Brompheniramine
CID 6834
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Quinoline
CID 7047
Prothionamide
CID 666418
Zimelidine
CID 5365247

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine (CID 4761) is N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is CN(C)CCC(c1ccccc1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is IJHNSHDBIRRJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine?
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 4761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).