4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol

C24H34FNO — CID 19909925

IUPAC4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
SMILESCC(C)CN(CCCC(O)(c1ccccc1)c1ccccc1F)CC(C)C
InChIInChI=1S/C24H34FNO/c1-19(2)17-26(18-20(3)4)16-10-15-24(27,21-11-6-5-7-12-21)22-13-8-9-14-23(22)25/h5-9,11-14,19-20,27H,10,15-18H2,1-4H3
InChIKeyPORGNKDHZPSMLO-UHFFFAOYSA-N
MW371.54 g/mol
LogP5.46
Rot. Bonds10

About 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol

4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol (PubChem CID 19909925) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
PubChem CID19909925
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
SMILESCC(C)CN(CCCC(O)(c1ccccc1)c1ccccc1F)CC(C)C
InChIInChI=1S/C24H34FNO/c1-19(2)17-26(18-20(3)4)16-10-15-24(27,21-11-6-5-7-12-21)22-13-8-9-14-23(22)25/h5-9,11-14,19-20,27H,10,15-18H2,1-4H3
InChIKeyPORGNKDHZPSMLO-UHFFFAOYSA-N
XLogP5.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(2-methylpropyl)amino]-1,1-bis(4-bromophenyl)butan-1-ol
CID 19909924
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
1-(5-chloro-2-methylsulfanylphenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834788
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227
1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol
CID 70336048
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol
CID 3026470
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383
5-[benzyl(propyl)amino]-2-(2-fluorophenyl)-2-propan-2-ylpentanenitrile
CID 21181154
4-(dimethylamino)-1-(4-fluorophenyl)-1-[2-(hydroxymethyl)phenyl]butan-1-ol;oxalonitrile
CID 174662850
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol?
The IUPAC name of 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol (CID 19909925) is 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol is CC(C)CN(CCCC(O)(c1ccccc1)c1ccccc1F)CC(C)C.
What is the InChIKey of 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol?
The InChIKey is PORGNKDHZPSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c1-19(2)17-26(18-20(3)4)16-10-15-24(27,21-11-6-5-7-12-21)22-13-8-9-14-23(22)25/h5-9,11-14,19-20,27H,10,15-18H2,1-4H3.
What are the key properties of 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol?
4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol has a molecular weight of 371.54 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 19909925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).