4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride

C19H24ClF2NO — CID 19885149

IUPAC4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccc(OCc2ccc(F)cc2F)cc1)N(C)C.Cl
InChIInChI=1S/C19H23F2NO.ClH/c1-14(22(2)3)4-5-15-6-10-18(11-7-15)23-13-16-8-9-17(20)12-19(16)21;/h6-12,14H,4-5,13H2,1-3H3;1H
InChIKeyJDPRYSKTUPDTOU-UHFFFAOYSA-N
MW355.86 g/mol
LogP4.85
Rot. Bonds7

About 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride

4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride (PubChem CID 19885149) has the molecular formula C19H24ClF2NO and a molecular weight of 355.86 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
PubChem CID19885149
Molecular FormulaC19H24ClF2NO
Molecular Weight355.86 g/mol
Exact Mass355.15
IUPAC Name4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
SMILESCC(CCc1ccc(OCc2ccc(F)cc2F)cc1)N(C)C.Cl
InChIInChI=1S/C19H23F2NO.ClH/c1-14(22(2)3)4-5-15-6-10-18(11-7-15)23-13-16-8-9-17(20)12-19(16)21;/h6-12,14H,4-5,13H2,1-3H3;1H
InChIKeyJDPRYSKTUPDTOU-UHFFFAOYSA-N
XLogP4.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
4-[(4-butylphenoxy)methyl]-3-fluoroaniline
CID 115492298
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067894
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride (CID 19885149) is 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride is CC(CCc1ccc(OCc2ccc(F)cc2F)cc1)N(C)C.Cl.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
The InChIKey is JDPRYSKTUPDTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO.ClH/c1-14(22(2)3)4-5-15-6-10-18(11-7-15)23-13-16-8-9-17(20)12-19(16)21;/h6-12,14H,4-5,13H2,1-3H3;1H.
What are the key properties of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride?
4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride has a molecular weight of 355.86 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride is sourced from PubChem (CID 19885149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).