N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine

C16H16Cl2FNO — CID 114857807

IUPACN-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C16H16Cl2FNO/c1-10(2)20-9-11-8-12(17)6-7-14(11)21-15-5-3-4-13(18)16(15)19/h3-8,10,20H,9H2,1-2H3
InChIKeyNIQMKXIESXAJRW-UHFFFAOYSA-N
MW328.21 g/mol
LogP5.42
Rot. Bonds5

About N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 114857807) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID114857807
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C16H16Cl2FNO/c1-10(2)20-9-11-8-12(17)6-7-14(11)21-15-5-3-4-13(18)16(15)19/h3-8,10,20H,9H2,1-2H3
InChIKeyNIQMKXIESXAJRW-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.42
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-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581
N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169862
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 116689588
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855683
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine (CID 114857807) is N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cl)ccc1Oc1cccc(Cl)c1F.
What is the InChIKey of N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is NIQMKXIESXAJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(2)20-9-11-8-12(17)6-7-14(11)21-15-5-3-4-13(18)16(15)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(3-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 328.21 g/mol, XLogP of 5.42, 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-chloro-2-fluorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114857807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).