N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine

C17H21NO — CID 43635534

IUPACN-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)c2ccco2)C1
InChIInChI=1S/C17H21NO/c1-12-6-3-4-7-16(12)14-10-15(11-14)18-13(2)17-8-5-9-19-17/h3-9,13-15,18H,10-11H2,1-2H3
InChIKeyRPALGHPKMIMBOQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine

N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 43635534) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID43635534
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)c2ccco2)C1
InChIInChI=1S/C17H21NO/c1-12-6-3-4-7-16(12)14-10-15(11-14)18-13(2)17-8-5-9-19-17/h3-9,13-15,18H,10-11H2,1-2H3
InChIKeyRPALGHPKMIMBOQ-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 81363736
N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43680086
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
N-[(1R)-1-(furan-2-yl)ethyl]-5-methylthiolan-3-amine
CID 81402631
(1R,3S)-3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-(furan-2-yl)butan-1-ol
CID 99621655
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (CID 43635534) is N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NC(C)c2ccco2)C1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is RPALGHPKMIMBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-6-3-4-7-16(12)14-10-15(11-14)18-13(2)17-8-5-9-19-17/h3-9,13-15,18H,10-11H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43635534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).