3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine

C18H24N2 — CID 60896076

IUPAC3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
SMILESCC(C)CC(NCCc1cccnc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)13-18(17-8-4-3-5-9-17)20-12-10-16-7-6-11-19-14-16/h3-9,11,14-15,18,20H,10,12-13H2,1-2H3
InChIKeyHMWCKYAVLBMDOP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.00
Rot. Bonds7

About 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine

3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine (PubChem CID 60896076) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
PubChem CID60896076
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
SMILESCC(C)CC(NCCc1cccnc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-15(2)13-18(17-8-4-3-5-9-17)20-12-10-16-7-6-11-19-14-16/h3-9,11,14-15,18,20H,10,12-13H2,1-2H3
InChIKeyHMWCKYAVLBMDOP-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-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

2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
CID 114698805
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine?
The IUPAC name of 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine (CID 60896076) is 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine?
The canonical SMILES for 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine is CC(C)CC(NCCc1cccnc1)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine?
The InChIKey is HMWCKYAVLBMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-15(2)13-18(17-8-4-3-5-9-17)20-12-10-16-7-6-11-19-14-16/h3-9,11,14-15,18,20H,10,12-13H2,1-2H3.
What are the key properties of 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine?
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine is sourced from PubChem (CID 60896076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).