5-(difluoromethyl)-2-propylaniline

C10H13F2N — CID 130537741

IUPAC5-(difluoromethyl)-2-propylaniline
SMILESCCCc1ccc(C(F)F)cc1N
InChIInChI=1S/C10H13F2N/c1-2-3-7-4-5-8(10(11)12)6-9(7)13/h4-6,10H,2-3,13H2,1H3
InChIKeyKCNKFWCUZKOKOE-UHFFFAOYSA-N
MW185.22 g/mol
LogP3.16
Rot. Bonds3

About 5-(difluoromethyl)-2-propylaniline

5-(difluoromethyl)-2-propylaniline (PubChem CID 130537741) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-propylaniline.

Molecular Properties

Compound Name5-(difluoromethyl)-2-propylaniline
PubChem CID130537741
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name5-(difluoromethyl)-2-propylaniline
SMILESCCCc1ccc(C(F)F)cc1N
InChIInChI=1S/C10H13F2N/c1-2-3-7-4-5-8(10(11)12)6-9(7)13/h4-6,10H,2-3,13H2,1H3
InChIKeyKCNKFWCUZKOKOE-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(difluoromethyl)-2-propylaniline 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

4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
2-propyl-5-(trifluoromethyl)aniline
CID 105455059
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156
4-propan-2-yl-1,2-dipropylbenzene
CID 123478662
4-(difluoromethyl)-1-ethyl-2-methylbenzene
CID 89190033
2-(3-amino-4-ethylphenyl)propanal
CID 134639349
5-phenyl-2-propylaniline
CID 165495824
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
CID 112737492
2-(3-amino-4-propylphenyl)acetic acid
CID 68878432
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
4-fluoro-2-propylaniline
CID 23348947
1-[2-amino-4-(difluoromethyl)anilino]-4-methylpentan-2-ol
CID 112737551

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-propylaniline?
The IUPAC name of 5-(difluoromethyl)-2-propylaniline (CID 130537741) is 5-(difluoromethyl)-2-propylaniline.
What is the SMILES notation for 5-(difluoromethyl)-2-propylaniline?
The canonical SMILES for 5-(difluoromethyl)-2-propylaniline is CCCc1ccc(C(F)F)cc1N.
What is the InChIKey of 5-(difluoromethyl)-2-propylaniline?
The InChIKey is KCNKFWCUZKOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-2-3-7-4-5-8(10(11)12)6-9(7)13/h4-6,10H,2-3,13H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-propylaniline?
5-(difluoromethyl)-2-propylaniline has a molecular weight of 185.22 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-propylaniline is sourced from PubChem (CID 130537741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).