4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine

C15H19FN2OS — CID 63593111

IUPAC4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
SMILESCC(C)Oc1cc(N(C)Cc2ccsc2)c(N)cc1F
InChIInChI=1S/C15H19FN2OS/c1-10(2)19-15-7-14(13(17)6-12(15)16)18(3)8-11-4-5-20-9-11/h4-7,9-10H,8,17H2,1-3H3
InChIKeyRLCUEZIMMCSMRO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.89
Rot. Bonds5

About 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine

4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine (PubChem CID 63593111) has the molecular formula C15H19FN2OS and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
PubChem CID63593111
Molecular FormulaC15H19FN2OS
Molecular Weight294.40 g/mol
Exact Mass294.12
IUPAC Name4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
SMILESCC(C)Oc1cc(N(C)Cc2ccsc2)c(N)cc1F
InChIInChI=1S/C15H19FN2OS/c1-10(2)19-15-7-14(13(17)6-12(15)16)18(3)8-11-4-5-20-9-11/h4-7,9-10H,8,17H2,1-3H3
InChIKeyRLCUEZIMMCSMRO-UHFFFAOYSA-N
XLogP3.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzyl-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592554
2-fluoro-5-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 107258801
1-N-(2,2-dimethylpropyl)-4-fluoro-1-N-methyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592276
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
2-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)acetamide
CID 63592937
2-N-[(5-bromothiophen-3-yl)methyl]-4-(difluoromethoxy)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 63594437
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
1-N-[(4-ethylphenyl)methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63600105
3-(2-amino-4-fluoro-N-methyl-5-propan-2-yloxyanilino)-N-methylpropanamide
CID 106914131
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 63592864
2-(difluoromethyl)-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 55229461

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine (CID 63593111) is 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine is CC(C)Oc1cc(N(C)Cc2ccsc2)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
The InChIKey is RLCUEZIMMCSMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-10(2)19-15-7-14(13(17)6-12(15)16)18(3)8-11-4-5-20-9-11/h4-7,9-10H,8,17H2,1-3H3.
What are the key properties of 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine?
4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-methyl-5-propan-2-yloxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 63593111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).