4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol

C14H22FNO — CID 66454766

IUPAC4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-11(17)14(2,3)10-16(4)9-12-6-5-7-13(15)8-12/h5-8,11,17H,9-10H2,1-4H3
InChIKeyNZNGYKFWRWOHKP-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.66
Rot. Bonds5

About 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol

4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol (PubChem CID 66454766) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
PubChem CID66454766
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
SMILESCC(O)C(C)(C)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-11(17)14(2,3)10-16(4)9-12-6-5-7-13(15)8-12/h5-8,11,17H,9-10H2,1-4H3
InChIKeyNZNGYKFWRWOHKP-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
4-[(5-bromothiophen-3-yl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66452184
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
1-N-[(3-chlorophenyl)methyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452340
4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
3-[(3-fluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134180
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551034
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol (CID 66454766) is 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol is CC(O)C(C)(C)CN(C)Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol?
The InChIKey is NZNGYKFWRWOHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(17)14(2,3)10-16(4)9-12-6-5-7-13(15)8-12/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol?
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 66454766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).