N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine

C16H17ClFNO — CID 114855683

IUPACN-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1Oc1ccc(F)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(2)19-10-12-3-4-13(17)9-16(12)20-15-7-5-14(18)6-8-15/h3-9,11,19H,10H2,1-2H3
InChIKeyVEPZHMISMFZPNV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.77
Rot. Bonds5

About N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine

N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 114855683) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID114855683
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Cl)cc1Oc1ccc(F)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(2)19-10-12-3-4-13(17)9-16(12)20-15-7-5-14(18)6-8-15/h3-9,11,19H,10H2,1-2H3
InChIKeyVEPZHMISMFZPNV-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[[2-(3-bromo-5-fluorophenoxy)-4-chlorophenyl]methyl]propan-2-amine
CID 114857583
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169862
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81250922
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427
N-[[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]methyl]propan-2-amine
CID 114857581
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine (CID 114855683) is N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Cl)cc1Oc1ccc(F)cc1.
What is the InChIKey of N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is VEPZHMISMFZPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(2)19-10-12-3-4-13(17)9-16(12)20-15-7-5-14(18)6-8-15/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine?
N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114855683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).