N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine

C17H19ClFNO — CID 107169862

IUPACN-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ccc(Cl)cc2CNC(C)C)cc1F
InChIInChI=1S/C17H19ClFNO/c1-11(2)20-10-13-8-14(18)5-7-17(13)21-15-6-4-12(3)16(19)9-15/h4-9,11,20H,10H2,1-3H3
InChIKeyNFZCEDZGBIGLHW-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.08
Rot. Bonds5

About N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 107169862) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID107169862
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ccc(Cl)cc2CNC(C)C)cc1F
InChIInChI=1S/C17H19ClFNO/c1-11(2)20-10-13-8-14(18)5-7-17(13)21-15-6-4-12(3)16(19)9-15/h4-9,11,20H,10H2,1-3H3
InChIKeyNFZCEDZGBIGLHW-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.80
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
N-[[3-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169860
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114857807
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine (CID 107169862) is N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1ccc(Oc2ccc(Cl)cc2CNC(C)C)cc1F.
What is the InChIKey of N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is NFZCEDZGBIGLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11(2)20-10-13-8-14(18)5-7-17(13)21-15-6-4-12(3)16(19)9-15/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 307.80 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107169862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).