1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine

C17H19ClFNO — CID 65124629

IUPAC1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFNO/c1-2-16(20)17(13-6-8-15(19)9-7-13)21-11-12-4-3-5-14(18)10-12/h3-10,16-17H,2,11,20H2,1H3
InChIKeyOIQZOXFMWYIYMJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.47
Rot. Bonds6

About 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine

1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine (PubChem CID 65124629) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
PubChem CID65124629
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OCc1cccc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C17H19ClFNO/c1-2-16(20)17(13-6-8-15(19)9-7-13)21-11-12-4-3-5-14(18)10-12/h3-10,16-17H,2,11,20H2,1H3
InChIKeyOIQZOXFMWYIYMJ-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
CID 65124380
1-[(3-bromophenyl)methoxy]-1-(4-methylphenyl)butan-2-amine
CID 82803891
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-(4-chlorophenyl)-1-(furan-2-ylmethoxy)butan-2-amine
CID 55014860
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine?
The IUPAC name of 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine (CID 65124629) is 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine is CCC(N)C(OCc1cccc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine?
The InChIKey is OIQZOXFMWYIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-16(20)17(13-6-8-15(19)9-7-13)21-11-12-4-3-5-14(18)10-12/h3-10,16-17H,2,11,20H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine?
1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 65124629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).