N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine

C17H22N2 — CID 82540634

IUPACN,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
SMILESCNC(Cc1ccc(-c2cccnc2)cc1)C(C)C
InChIInChI=1S/C17H22N2/c1-13(2)17(18-3)11-14-6-8-15(9-7-14)16-5-4-10-19-12-16/h4-10,12-13,17-18H,11H2,1-3H3
InChIKeyBVGFKCYHNSSAQG-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.54
Rot. Bonds5

About N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine

N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine (PubChem CID 82540634) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
PubChem CID82540634
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
SMILESCNC(Cc1ccc(-c2cccnc2)cc1)C(C)C
InChIInChI=1S/C17H22N2/c1-13(2)17(18-3)11-14-6-8-15(9-7-14)16-5-4-10-19-12-16/h4-10,12-13,17-18H,11H2,1-3H3
InChIKeyBVGFKCYHNSSAQG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-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-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
1,1-difluoro-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 103759818
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
3-azulen-6-ylpyridine
CID 86232079
(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
CID 68774707
(2R)-2-amino-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 131872302
3-[4-[(3R)-2,5-dimethylhexan-3-yl]phenyl]pyridine
CID 145116291
N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine?
The IUPAC name of N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine (CID 82540634) is N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine is CNC(Cc1ccc(-c2cccnc2)cc1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine?
The InChIKey is BVGFKCYHNSSAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)17(18-3)11-14-6-8-15(9-7-14)16-5-4-10-19-12-16/h4-10,12-13,17-18H,11H2,1-3H3.
What are the key properties of N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine?
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine is sourced from PubChem (CID 82540634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).