2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine

C14H19F3N2O — CID 63593831

IUPAC2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CC1CC1)c1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H19F3N2O/c1-2-5-19(8-9-3-4-9)12-7-13(20-14(16)17)10(15)6-11(12)18/h6-7,9,14H,2-5,8,18H2,1H3
InChIKeyNQYIMPWVNXNUGC-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.64
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine

2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine (PubChem CID 63593831) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine
PubChem CID63593831
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CC1CC1)c1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H19F3N2O/c1-2-5-19(8-9-3-4-9)12-7-13(20-14(16)17)10(15)6-11(12)18/h6-7,9,14H,2-5,8,18H2,1H3
InChIKeyNQYIMPWVNXNUGC-UHFFFAOYSA-N
XLogP3.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63954095
2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
CID 63594154
2-N-cyclopropyl-4-(difluoromethoxy)-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 63591908
4-(difluoromethoxy)-5-fluoro-2-N-methyl-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 63592425
1-N-butyl-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592910
4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 63593671
3-amino-4-[cyclopropylmethyl(propyl)amino]benzenesulfonamide
CID 43588041
4-(difluoromethoxy)-5-fluoro-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 63592611
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
3-N-(cyclopropylmethyl)-4-methyl-3-N-propylbenzene-1,3-diamine
CID 62588869
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
CID 61445224

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine (CID 63593831) is 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine is CCCN(CC1CC1)c1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine?
The InChIKey is NQYIMPWVNXNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-5-19(8-9-3-4-9)12-7-13(20-14(16)17)10(15)6-11(12)18/h6-7,9,14H,2-5,8,18H2,1H3.
What are the key properties of 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine?
2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine has a molecular weight of 288.31 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 63593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).