2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol

C13H20FNO — CID 65185897

IUPAC2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(C(O)C(CN)C(C)C)ccc1F
InChIInChI=1S/C13H20FNO/c1-8(2)11(7-15)13(16)10-4-5-12(14)9(3)6-10/h4-6,8,11,13,16H,7,15H2,1-3H3
InChIKeyDTAJFMMQYQBOAC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.40
Rot. Bonds4

About 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol (PubChem CID 65185897) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
PubChem CID65185897
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
SMILESCc1cc(C(O)C(CN)C(C)C)ccc1F
InChIInChI=1S/C13H20FNO/c1-8(2)11(7-15)13(16)10-4-5-12(14)9(3)6-10/h4-6,8,11,13,16H,7,15H2,1-3H3
InChIKeyDTAJFMMQYQBOAC-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-diol
CID 171859509
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82315033
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
2-[[1-(4-fluoro-3-methylphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 82315070

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol (CID 65185897) is 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol is Cc1cc(C(O)C(CN)C(C)C)ccc1F.
What is the InChIKey of 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is DTAJFMMQYQBOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-8(2)11(7-15)13(16)10-4-5-12(14)9(3)6-10/h4-6,8,11,13,16H,7,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 65185897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).