4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol

C14H23FN2O — CID 64791342

IUPAC4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(C)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-3-8-16-13(11-18)7-9-17(2)14-6-4-5-12(15)10-14/h4-6,10,13,16,18H,3,7-9,11H2,1-2H3
InChIKeyQXWNKEGVGKWFNB-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.01
Rot. Bonds8

About 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol

4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol (PubChem CID 64791342) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
PubChem CID64791342
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(C)c1cccc(F)c1
InChIInChI=1S/C14H23FN2O/c1-3-8-16-13(11-18)7-9-17(2)14-6-4-5-12(15)10-14/h4-6,10,13,16,18H,3,7-9,11H2,1-2H3
InChIKeyQXWNKEGVGKWFNB-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N,3-dimethylanilino)-2-(propylamino)butan-1-ol
CID 64789732
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
4-(N-ethyl-3-fluoroanilino)-2-(propylamino)butanenitrile
CID 63028114
4-(3-fluoro-N-methylanilino)-2-(methylamino)butanamide
CID 63053993
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
N'-(3-fluorophenyl)-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645059

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol?
The IUPAC name of 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol (CID 64791342) is 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol is CCCNC(CO)CCN(C)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol?
The InChIKey is QXWNKEGVGKWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-8-16-13(11-18)7-9-17(2)14-6-4-5-12(15)10-14/h4-6,10,13,16,18H,3,7-9,11H2,1-2H3.
What are the key properties of 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol?
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol has a molecular weight of 254.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64791342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).