1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol

C20H25F2NO — CID 21411078

IUPAC1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol
SMILESCCCCNCC(O)CC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H25F2NO/c1-2-3-12-23-14-19(24)13-20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h4-11,19-20,23-24H,2-3,12-14H2,1H3
InChIKeyRYVBKDCVRFXBRN-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.24
Rot. Bonds9

About 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol

1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol (PubChem CID 21411078) has the molecular formula C20H25F2NO and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol
PubChem CID21411078
Molecular FormulaC20H25F2NO
Molecular Weight333.42 g/mol
Exact Mass333.19
IUPAC Name1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol
SMILESCCCCNCC(O)CC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H25F2NO/c1-2-3-12-23-14-19(24)13-20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h4-11,19-20,23-24H,2-3,12-14H2,1H3
InChIKeyRYVBKDCVRFXBRN-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.24
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-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
1-(butylamino)propan-2-yl 4-fluorobenzoate
CID 82532294
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
1-(octadecylamino)butan-2-ol
CID 174541083
1,1-diphenylheptan-3-ol
CID 132530442
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-fluorophenyl)sulfinyl-3-(propylamino)propan-2-ol
CID 113318017

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol (CID 21411078) is 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol is CCCCNCC(O)CC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol?
The InChIKey is RYVBKDCVRFXBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO/c1-2-3-12-23-14-19(24)13-20(15-4-8-17(21)9-5-15)16-6-10-18(22)11-7-16/h4-11,19-20,23-24H,2-3,12-14H2,1H3.
What are the key properties of 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol?
1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol has a molecular weight of 333.42 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-4,4-bis(4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 21411078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).