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

C17H22N2 — CID 104736266

IUPACN,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
SMILESCNC(Cc1cccnc1)C(C)(C)c1ccccc1
InChIInChI=1S/C17H22N2/c1-17(2,15-9-5-4-6-10-15)16(18-3)12-14-8-7-11-19-13-14/h4-11,13,16,18H,12H2,1-3H3
InChIKeyNTTMDVOSHPXAEF-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.19
Rot. Bonds5

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

N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine (PubChem CID 104736266) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
PubChem CID104736266
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
SMILESCNC(Cc1cccnc1)C(C)(C)c1ccccc1
InChIInChI=1S/C17H22N2/c1-17(2,15-9-5-4-6-10-15)16(18-3)12-14-8-7-11-19-13-14/h4-11,13,16,18H,12H2,1-3H3
InChIKeyNTTMDVOSHPXAEF-UHFFFAOYSA-N
XLogP3.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-3-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 105034585
1-(3-chlorophenyl)-N,3-dimethyl-3-phenylbutan-2-amine
CID 63086067
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
(1R)-N-methyl-1-phenyl-1-pyridin-3-ylethanamine
CID 135057119
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
2-methyl-2-phenyl-N-propyl-1-pyridin-3-ylpropan-1-amine
CID 63084520
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine (CID 104736266) is N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine is CNC(Cc1cccnc1)C(C)(C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine?
The InChIKey is NTTMDVOSHPXAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,15-9-5-4-6-10-15)16(18-3)12-14-8-7-11-19-13-14/h4-11,13,16,18H,12H2,1-3H3.
What are the key properties of N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine?
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 104736266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).