1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol

C15H24FNO — CID 66000874

IUPAC1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-12(2)11-17-8-7-15(3,18)10-13-5-4-6-14(16)9-13/h4-6,9,12,17-18H,7-8,10-11H2,1-3H3
InChIKeyQPRFXCNIBDNPGM-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.75
Rot. Bonds7

About 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol

1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol (PubChem CID 66000874) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
PubChem CID66000874
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
SMILESCC(C)CNCCC(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-12(2)11-17-8-7-15(3,18)10-13-5-4-6-14(16)9-13/h4-6,9,12,17-18H,7-8,10-11H2,1-3H3
InChIKeyQPRFXCNIBDNPGM-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 66002862
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
3-(3-fluorophenyl)-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 114834241
1-(3-bromo-4-methoxyphenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001084
2-[(3-fluorophenyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138561
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol (CID 66000874) is 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol is CC(C)CNCCC(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
The InChIKey is QPRFXCNIBDNPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12(2)11-17-8-7-15(3,18)10-13-5-4-6-14(16)9-13/h4-6,9,12,17-18H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol?
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol has a molecular weight of 253.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol is sourced from PubChem (CID 66000874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).