1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine

C14H21FN2 — CID 78973859

IUPAC1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCN(c1cccc(F)c1N)C1CC1
InChIInChI=1S/C14H21FN2/c1-10(2)8-9-17(11-6-7-11)13-5-3-4-12(15)14(13)16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyMRZBCWYYLGZVJN-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.42
Rot. Bonds5

About 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine

1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine (PubChem CID 78973859) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
PubChem CID78973859
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
SMILESCC(C)CCN(c1cccc(F)c1N)C1CC1
InChIInChI=1S/C14H21FN2/c1-10(2)8-9-17(11-6-7-11)13-5-3-4-12(15)14(13)16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyMRZBCWYYLGZVJN-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-fluoro-N-(3-methylbutyl)-2-nitroaniline
CID 78991405
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzonitrile
CID 104716929
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
CID 115546593
2-(1-aminoethyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78974160
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
4-bromo-2-N-cyclopropyl-5-fluoro-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 116735733
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
2-(1-aminopropyl)-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 112678059
4-[cyclopropyl(3-methylbutyl)amino]-3-fluorobenzenecarbothioamide
CID 78974421
2-(2-aminobutyl)-3-chloro-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78951235
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine (CID 78973859) is 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine is CC(C)CCN(c1cccc(F)c1N)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
The InChIKey is MRZBCWYYLGZVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)8-9-17(11-6-7-11)13-5-3-4-12(15)14(13)16/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine?
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 78973859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).