1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol

C14H22FNO — CID 82315033

IUPAC1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCc1cc(C(O)C(C)NCC(C)C)ccc1F
InChIInChI=1S/C14H22FNO/c1-9(2)8-16-11(4)14(17)12-5-6-13(15)10(3)7-12/h5-7,9,11,14,16-17H,8H2,1-4H3
InChIKeyKEFZVJZHYAWEMZ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol

1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol (PubChem CID 82315033) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
PubChem CID82315033
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
SMILESCc1cc(C(O)C(C)NCC(C)C)ccc1F
InChIInChI=1S/C14H22FNO/c1-9(2)8-16-11(4)14(17)12-5-6-13(15)10(3)7-12/h5-7,9,11,14,16-17H,8H2,1-4H3
InChIKeyKEFZVJZHYAWEMZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(hexylamino)propan-1-ol
CID 82315039
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 82315070
2-(4-fluoro-3-methylphenyl)-2-hydroxy-N-(2-methylpropyl)acetamide
CID 82129851
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
(4-fluoro-3-methylphenyl)methanediol
CID 45090626

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol (CID 82315033) is 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol is Cc1cc(C(O)C(C)NCC(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol?
The InChIKey is KEFZVJZHYAWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(2)8-16-11(4)14(17)12-5-6-13(15)10(3)7-12/h5-7,9,11,14,16-17H,8H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol?
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol is sourced from PubChem (CID 82315033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).