4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

C15H23FN2 — CID 43679348

IUPAC4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(2)18(4)15-8-7-13(9-14(15)16)17-11(3)12-5-6-12/h7-12,17H,5-6H2,1-4H3
InChIKeyWQLVKZIVDMXTDT-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.88
Rot. Bonds5

About 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 43679348) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID43679348
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(Nc1ccc(N(C)C(C)C)c(F)c1)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(2)18(4)15-8-7-13(9-14(15)16)17-11(3)12-5-6-12/h7-12,17H,5-6H2,1-4H3
InChIKeyWQLVKZIVDMXTDT-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(3-propan-2-ylcyclobutyl)benzene-1,4-diamine
CID 103561131
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605
2-fluoro-1-N-methyl-4-N-(5-methylheptan-3-yl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679336
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1-pyrrolidin-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79537461
N-[(1S)-1-cyclopropylethyl]-3-fluoro-4-methoxyaniline
CID 93292866
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-N-(4-methylcyclohexyl)propanamide
CID 55988900
4-N-(1,1-dioxothiolan-3-yl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 63162631
4-N-(2,4-dimethylcyclohexyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 64762403
2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]butanoic acid
CID 115352494
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
4-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 106658246

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 43679348) is 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is CC(Nc1ccc(N(C)C(C)C)c(F)c1)C1CC1.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is WQLVKZIVDMXTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10(2)18(4)15-8-7-13(9-14(15)16)17-11(3)12-5-6-12/h7-12,17H,5-6H2,1-4H3.
What are the key properties of 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 250.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).