N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine

C18H24N2O — CID 63456333

IUPACN-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCCC(C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-14(2)21-18-17(10-7-12-20-18)19-13-11-15(3)16-8-5-4-6-9-16/h4-10,12,14-15,19H,11,13H2,1-3H3
InChIKeyPOBQZQFKGCVPHR-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.47
Rot. Bonds7

About N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine

N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine (PubChem CID 63456333) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
PubChem CID63456333
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1ncccc1NCCC(C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-14(2)21-18-17(10-7-12-20-18)19-13-11-15(3)16-8-5-4-6-9-16/h4-10,12,14-15,19H,11,13H2,1-3H3
InChIKeyPOBQZQFKGCVPHR-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
CID 81093253
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
2-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butan-2-ol
CID 79359765
N-(2-ethylsulfonylethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379623
N-(4-methoxybutyl)-2-propan-2-yloxypyridin-3-amine
CID 113436858
N-[cyclopropyl(phenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454223
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 103001068
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234
4-methyl-N-(3-phenylbutyl)pyridin-3-amine
CID 55201696
N-(3-phenylbutyl)-2-propylaniline
CID 63434100
2-(3-phenylbutylamino)benzoic acid
CID 63423081

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine (CID 63456333) is N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1ncccc1NCCC(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine?
The InChIKey is POBQZQFKGCVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)21-18-17(10-7-12-20-18)19-13-11-15(3)16-8-5-4-6-9-16/h4-10,12,14-15,19H,11,13H2,1-3H3.
What are the key properties of N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine?
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine has a molecular weight of 284.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 63456333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).