3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol

C19H24FNO — CID 19892138

IUPAC3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
SMILESCCCCc1ccc(NCCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO/c1-2-3-4-15-5-11-18(12-6-15)21-14-13-19(22)16-7-9-17(20)10-8-16/h5-12,19,21-22H,2-4,13-14H2,1H3
InChIKeyMUKLGXKFQXOIML-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.70
Rot. Bonds8

About 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol

3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol (PubChem CID 19892138) has the molecular formula C19H24FNO and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
PubChem CID19892138
Molecular FormulaC19H24FNO
Molecular Weight301.41 g/mol
Exact Mass301.18
IUPAC Name3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
SMILESCCCCc1ccc(NCCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FNO/c1-2-3-4-15-5-11-18(12-6-15)21-14-13-19(22)16-7-9-17(20)10-8-16/h5-12,19,21-22H,2-4,13-14H2,1H3
InChIKeyMUKLGXKFQXOIML-UHFFFAOYSA-N
XLogP4.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
CID 19996189
1-(4-fluorophenyl)-N'-(4-octylphenyl)propane-1,3-diamine
CID 15181347
1-(4-butylphenyl)butan-1-ol
CID 61088483
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
(5R)-5-(4-butylphenyl)-5-hydroxypentanoic acid
CID 28931398
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
5-(4-butylanilino)pentan-1-ol
CID 62228069
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol (CID 19892138) is 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol is CCCCc1ccc(NCCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is MUKLGXKFQXOIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-2-3-4-15-5-11-18(12-6-15)21-14-13-19(22)16-7-9-17(20)10-8-16/h5-12,19,21-22H,2-4,13-14H2,1H3.
What are the key properties of 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol?
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 301.41 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 19892138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).