2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine

C15H22F2N2O — CID 62072234

IUPAC2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
SMILESCC(CN)(CCc1ccc(OC(F)F)cc1)NC1CC1
InChIInChI=1S/C15H22F2N2O/c1-15(10-18,19-12-4-5-12)9-8-11-2-6-13(7-3-11)20-14(16)17/h2-3,6-7,12,14,19H,4-5,8-10,18H2,1H3
InChIKeyNRNBZWXIQYFYSJ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.69
Rot. Bonds8

About 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine

2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine (PubChem CID 62072234) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
PubChem CID62072234
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
SMILESCC(CN)(CCc1ccc(OC(F)F)cc1)NC1CC1
InChIInChI=1S/C15H22F2N2O/c1-15(10-18,19-12-4-5-12)9-8-11-2-6-13(7-3-11)20-14(16)17/h2-3,6-7,12,14,19H,4-5,8-10,18H2,1H3
InChIKeyNRNBZWXIQYFYSJ-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-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

4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62542388
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 65300788
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine (CID 62072234) is 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine is CC(CN)(CCc1ccc(OC(F)F)cc1)NC1CC1.
What is the InChIKey of 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine?
The InChIKey is NRNBZWXIQYFYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-15(10-18,19-12-4-5-12)9-8-11-2-6-13(7-3-11)20-14(16)17/h2-3,6-7,12,14,19H,4-5,8-10,18H2,1H3.
What are the key properties of 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine?
2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine has a molecular weight of 284.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine is sourced from PubChem (CID 62072234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).