1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine

C15H18ClNO2 — CID 65124380

IUPAC1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C15H18ClNO2/c1-2-13(17)15(14-7-4-8-18-14)19-10-11-5-3-6-12(16)9-11/h3-9,13,15H,2,10,17H2,1H3
InChIKeyJWLXQZSPTGLHFD-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.93
Rot. Bonds6

About 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine

1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine (PubChem CID 65124380) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
PubChem CID65124380
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C15H18ClNO2/c1-2-13(17)15(14-7-4-8-18-14)19-10-11-5-3-6-12(16)9-11/h3-9,13,15H,2,10,17H2,1H3
InChIKeyJWLXQZSPTGLHFD-UHFFFAOYSA-N
XLogP3.93
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine (CID 65124380) is 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine is CCC(N)C(OCc1cccc(Cl)c1)c1ccco1.
What is the InChIKey of 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine?
The InChIKey is JWLXQZSPTGLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-13(17)15(14-7-4-8-18-14)19-10-11-5-3-6-12(16)9-11/h3-9,13,15H,2,10,17H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine?
1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 65124380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).