1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

C15H23ClFNO — CID 82805882

IUPAC1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H23ClFNO/c1-4-8-18-13(10-19-11(2)3)9-12-6-5-7-14(16)15(12)17/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyAFCSGMKVXUKTEM-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds8

About 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine

1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (PubChem CID 82805882) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
PubChem CID82805882
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
SMILESCCCNC(COC(C)C)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H23ClFNO/c1-4-8-18-13(10-19-11(2)3)9-12-6-5-7-14(16)15(12)17/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyAFCSGMKVXUKTEM-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-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

1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(2-chlorophenyl)-3-phenoxy-N-propylpropan-2-amine
CID 63416575
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(2,3-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 55094101
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-methylpropan-2-amine
CID 82805467
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine (CID 82805882) is 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is CCCNC(COC(C)C)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
The InChIKey is AFCSGMKVXUKTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-8-18-13(10-19-11(2)3)9-12-6-5-7-14(16)15(12)17/h5-7,11,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine is sourced from PubChem (CID 82805882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).