N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine

C15H18N2O — CID 79091157

IUPACN-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
SMILESCOc1ccccc1C1CC(Nn2cccc2)C1
InChIInChI=1S/C15H18N2O/c1-18-15-7-3-2-6-14(15)12-10-13(11-12)16-17-8-4-5-9-17/h2-9,12-13,16H,10-11H2,1H3
InChIKeyUHBDBQPJUQVMDK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.99
Rot. Bonds4

About N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine

N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine (PubChem CID 79091157) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
PubChem CID79091157
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
SMILESCOc1ccccc1C1CC(Nn2cccc2)C1
InChIInChI=1S/C15H18N2O/c1-18-15-7-3-2-6-14(15)12-10-13(11-12)16-17-8-4-5-9-17/h2-9,12-13,16H,10-11H2,1H3
InChIKeyUHBDBQPJUQVMDK-UHFFFAOYSA-N
XLogP2.99
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
CID 43635379
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
4-iodo-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43635039
2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43633569
2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43634904
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43679926
1-cyclopropyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]ethanol
CID 63295043
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
CID 43635319
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine (CID 79091157) is N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine is COc1ccccc1C1CC(Nn2cccc2)C1.
What is the InChIKey of N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine?
The InChIKey is UHBDBQPJUQVMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-7-3-2-6-14(15)12-10-13(11-12)16-17-8-4-5-9-17/h2-9,12-13,16H,10-11H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine?
N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine has a molecular weight of 242.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine is sourced from PubChem (CID 79091157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).