1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine

C16H18ClNO — CID 106693358

IUPAC1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C2CCC2)c1)c1ccoc1Cl
InChIInChI=1S/C16H18ClNO/c1-18-15(14-8-9-19-16(14)17)13-7-3-6-12(10-13)11-4-2-5-11/h3,6-11,15,18H,2,4-5H2,1H3
InChIKeyDLGXNWDPFSJUOO-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.51
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine

1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine (PubChem CID 106693358) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
PubChem CID106693358
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C2CCC2)c1)c1ccoc1Cl
InChIInChI=1S/C16H18ClNO/c1-18-15(14-8-9-19-16(14)17)13-7-3-6-12(10-13)11-4-2-5-11/h3,6-11,15,18H,2,4-5H2,1H3
InChIKeyDLGXNWDPFSJUOO-UHFFFAOYSA-N
XLogP4.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-chlorofuran-3-yl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 106694793
1-(3-cyclobutylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 105053633
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787
1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
1-(2-bromofuran-3-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857070

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine (CID 106693358) is 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine is CNC(c1cccc(C2CCC2)c1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
The InChIKey is DLGXNWDPFSJUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-15(14-8-9-19-16(14)17)13-7-3-6-12(10-13)11-4-2-5-11/h3,6-11,15,18H,2,4-5H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine?
1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106693358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).