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

C17H19ClFNO — CID 107659648

IUPACN-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)cc2Cl)c1F
InChIInChI=1S/C17H19ClFNO/c1-11(2)20-10-13-7-8-15(14(18)9-13)21-16-6-4-5-12(3)17(16)19/h4-9,11,20H,10H2,1-3H3
InChIKeyWTWZHNILEUVHAC-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.08
Rot. Bonds5

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

N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 107659648) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID107659648
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cccc(Oc2ccc(CNC(C)C)cc2Cl)c1F
InChIInChI=1S/C17H19ClFNO/c1-11(2)20-10-13-7-8-15(14(18)9-13)21-16-6-4-5-12(3)17(16)19/h4-9,11,20H,10H2,1-3H3
InChIKeyWTWZHNILEUVHAC-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-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107659563
N-[[3-chloro-4-(2-methylsulfanylphenoxy)phenyl]methyl]propan-2-amine
CID 81151004
N-[[3-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169860
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114857807
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine (CID 107659648) is N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1cccc(Oc2ccc(CNC(C)C)cc2Cl)c1F.
What is the InChIKey of N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is WTWZHNILEUVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11(2)20-10-13-7-8-15(14(18)9-13)21-16-6-4-5-12(3)17(16)19/h4-9,11,20H,10H2,1-3H3.
What are the key properties of N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine?
N-[[3-chloro-4-(2-fluoro-3-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-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).