1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

C17H19ClFNO — CID 103037894

IUPAC1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-12(20-2)9-13-3-6-15(7-4-13)21-11-14-5-8-17(19)16(18)10-14/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyISKCZDKATYOUEP-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.21
Rot. Bonds6

About 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine

1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (PubChem CID 103037894) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
PubChem CID103037894
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClFNO/c1-12(20-2)9-13-3-6-15(7-4-13)21-11-14-5-8-17(19)16(18)10-14/h3-8,10,12,20H,9,11H2,1-2H3
InChIKeyISKCZDKATYOUEP-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494853
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
3-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 103040611

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine (CID 103037894) is 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(OCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
The InChIKey is ISKCZDKATYOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-12(20-2)9-13-3-6-15(7-4-13)21-11-14-5-8-17(19)16(18)10-14/h3-8,10,12,20H,9,11H2,1-2H3.
What are the key properties of 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine?
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 103037894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).