N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine

C11H14F2N2 — CID 106528632

IUPACN-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2/c12-8-3-7(4-9(13)5-8)11(6-14)15-10-1-2-10/h3-5,10-11,15H,1-2,6,14H2
InChIKeyABCNNSZXAOTARI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.72
Rot. Bonds4

About N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine

N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine (PubChem CID 106528632) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
PubChem CID106528632
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC NameN-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2N2/c12-8-3-7(4-9(13)5-8)11(6-14)15-10-1-2-10/h3-5,10-11,15H,1-2,6,14H2
InChIKeyABCNNSZXAOTARI-UHFFFAOYSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-1-(3,5-difluorophenyl)ethane-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

N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cyclopropyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 55030744
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
CID 66475041
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-cyclopropyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 55030697
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
N-cyclopropyl-1-pyridin-3-ylethane-1,2-diamine
CID 62069804
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
2-(cyclopropylamino)-2-(3-fluorophenyl)ethanol
CID 61055012
[2-cyclobutyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207885
[2-cycloheptyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105301798

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine (CID 106528632) is N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine is NCC(NC1CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
The InChIKey is ABCNNSZXAOTARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-8-3-7(4-9(13)5-8)11(6-14)15-10-1-2-10/h3-5,10-11,15H,1-2,6,14H2.
What are the key properties of N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine has a molecular weight of 212.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 106528632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).