N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine

C16H19NO — CID 104528153

IUPACN-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCc3ccoc3)C2)c1
InChIInChI=1S/C16H19NO/c1-12-3-2-4-14(7-12)15-8-16(9-15)17-10-13-5-6-18-11-13/h2-7,11,15-17H,8-10H2,1H3
InChIKeyGSUXDYLRMNJXHH-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.62
Rot. Bonds4

About N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine

N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 104528153) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID104528153
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCc3ccoc3)C2)c1
InChIInChI=1S/C16H19NO/c1-12-3-2-4-14(7-12)15-8-16(9-15)17-10-13-5-6-18-11-13/h2-7,11,15-17H,8-10H2,1H3
InChIKeyGSUXDYLRMNJXHH-UHFFFAOYSA-N
XLogP3.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-(furan-3-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64722368
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclobutan-1-amine
CID 106395110
N-(furan-3-ylmethyl)-3-methoxycyclobutan-1-amine
CID 104587739
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758
2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
CID 83010056
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine (CID 104528153) is N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCc3ccoc3)C2)c1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is GSUXDYLRMNJXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-3-2-4-14(7-12)15-8-16(9-15)17-10-13-5-6-18-11-13/h2-7,11,15-17H,8-10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 104528153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).