1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine

C15H18ClNO2 — CID 55014860

IUPAC1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine
SMILESCCC(N)C(OCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO2/c1-2-14(17)15(11-5-7-12(16)8-6-11)19-10-13-4-3-9-18-13/h3-9,14-15H,2,10,17H2,1H3
InChIKeyKYDUHUKLNIEPSH-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine

1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine (PubChem CID 55014860) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine
PubChem CID55014860
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine
SMILESCCC(N)C(OCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO2/c1-2-14(17)15(11-5-7-12(16)8-6-11)19-10-13-4-3-9-18-13/h3-9,14-15H,2,10,17H2,1H3
InChIKeyKYDUHUKLNIEPSH-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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Related Compounds

1-(4-fluorophenyl)-1-(furan-2-ylmethoxy)propan-2-amine
CID 55014973
1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
CID 65124380
2-(butan-2-yloxymethyl)furan
CID 118563774
1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
CID 65124629
1-(4-chlorophenyl)-1-[3-(2-methoxyethoxy)propoxy]butan-2-amine
CID 103401321
1-[5-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]butan-2-amine
CID 114866131
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
1-(furan-2-ylmethoxy)ethanol
CID 20517704
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine (CID 55014860) is 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine is CCC(N)C(OCc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine?
The InChIKey is KYDUHUKLNIEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-14(17)15(11-5-7-12(16)8-6-11)19-10-13-4-3-9-18-13/h3-9,14-15H,2,10,17H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine?
1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)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-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine is sourced from PubChem (CID 55014860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).