3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol

C15H25FN2O — CID 64827300

IUPAC3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCN(CC(C)(CO)NC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2O/c1-5-18(14-8-6-7-13(16)9-14)10-15(4,11-19)17-12(2)3/h6-9,12,17,19H,5,10-11H2,1-4H3
InChIKeyKTTMBJYYBRZBOB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.40
Rot. Bonds7

About 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64827300) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64827300
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCN(CC(C)(CO)NC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2O/c1-5-18(14-8-6-7-13(16)9-14)10-15(4,11-19)17-12(2)3/h6-9,12,17,19H,5,10-11H2,1-4H3
InChIKeyKTTMBJYYBRZBOB-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64789337
N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257454
methyl 3-(N-ethyl-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79621537
5-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64828310
5-(N-ethyl-4-fluoroanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64790530
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
3-(2-fluoro-N-methylanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64792340
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64827300) is 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol is CCN(CC(C)(CO)NC(C)C)c1cccc(F)c1.
What is the InChIKey of 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is KTTMBJYYBRZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-5-18(14-8-6-7-13(16)9-14)10-15(4,11-19)17-12(2)3/h6-9,12,17,19H,5,10-11H2,1-4H3.
What are the key properties of 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64827300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).