2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine

C10H13ClF2N2O — CID 103387363

IUPAC2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine
SMILESCC(CN)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H13ClF2N2O/c1-6(5-14)15-7-2-3-9(8(11)4-7)16-10(12)13/h2-4,6,10,15H,5,14H2,1H3
InChIKeyCWDUKFNFMVWOIG-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.70
Rot. Bonds5

About 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine

2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine (PubChem CID 103387363) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine
PubChem CID103387363
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine
SMILESCC(CN)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H13ClF2N2O/c1-6(5-14)15-7-2-3-9(8(11)4-7)16-10(12)13/h2-4,6,10,15H,5,14H2,1H3
InChIKeyCWDUKFNFMVWOIG-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine 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

2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43121348
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
3-chloro-4-(difluoromethoxy)-N-hexylaniline
CID 28877779
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
3-chloro-4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988284
3-chloro-4-(difluoromethoxy)-N-(3-methylsulfanylpropyl)aniline
CID 28622690
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 107569326
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine (CID 103387363) is 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine is CC(CN)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine?
The InChIKey is CWDUKFNFMVWOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O/c1-6(5-14)15-7-2-3-9(8(11)4-7)16-10(12)13/h2-4,6,10,15H,5,14H2,1H3.
What are the key properties of 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine?
2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine has a molecular weight of 250.68 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-chloro-4-(difluoromethoxy)phenyl]propane-1,2-diamine is sourced from PubChem (CID 103387363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).