4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine

C16H22N2O — CID 112516697

IUPAC4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine
SMILESCc1ccccc1OCCC(CN)c1cccn1C
InChIInChI=1S/C16H22N2O/c1-13-6-3-4-8-16(13)19-11-9-14(12-17)15-7-5-10-18(15)2/h3-8,10,14H,9,11-12,17H2,1-2H3
InChIKeyLHLJODZSQYUOAA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.84
Rot. Bonds6

About 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine

4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine (PubChem CID 112516697) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine
PubChem CID112516697
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine
SMILESCc1ccccc1OCCC(CN)c1cccn1C
InChIInChI=1S/C16H22N2O/c1-13-6-3-4-8-16(13)19-11-9-14(12-17)15-7-5-10-18(15)2/h3-8,10,14H,9,11-12,17H2,1-2H3
InChIKeyLHLJODZSQYUOAA-UHFFFAOYSA-N
XLogP2.84
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 82137983
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
chloro-[2-(2-methylphenoxy)ethyl]phosphane
CID 175343659
2-(2,5-dimethylphenyl)-4-(2-methoxyphenoxy)butan-1-amine
CID 82138492
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
[(2R)-1-amino-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841838
1-methyl-2-[3-(2-methylphenoxy)propylsulfanyl]imidazole
CID 47448835
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
ethene;(2-methylphenoxy)methanamine
CID 174405951

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine?
The IUPAC name of 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine (CID 112516697) is 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine?
The canonical SMILES for 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine is Cc1ccccc1OCCC(CN)c1cccn1C.
What is the InChIKey of 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine?
The InChIKey is LHLJODZSQYUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-6-3-4-8-16(13)19-11-9-14(12-17)15-7-5-10-18(15)2/h3-8,10,14H,9,11-12,17H2,1-2H3.
What are the key properties of 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine?
4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-2-(1-methylpyrrol-2-yl)butan-1-amine is sourced from PubChem (CID 112516697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).