1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol

C21H26FNO — CID 46007568

IUPAC1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(Cc1ccc(C)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C21H26FNO/c1-3-4-5-21(24)16-23(14-18-8-6-17(2)7-9-18)15-19-10-12-20(22)13-11-19/h3,6-13,21,24H,1,4-5,14-16H2,2H3
InChIKeyDYGGEQUFACWLNT-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.46
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol

1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol (PubChem CID 46007568) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol
PubChem CID46007568
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(Cc1ccc(C)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C21H26FNO/c1-3-4-5-21(24)16-23(14-18-8-6-17(2)7-9-18)15-19-10-12-20(22)13-11-19/h3,6-13,21,24H,1,4-5,14-16H2,2H3
InChIKeyDYGGEQUFACWLNT-UHFFFAOYSA-N
XLogP4.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46006709
(2R)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93147090
(2R)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]hex-5-en-2-ol
CID 93146898
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007561
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
(2S)-1-[(2-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 93160699
1-[benzyl-[(2-methoxyphenyl)methyl]amino]hex-5-en-2-ol
CID 46007693
1-[benzyl-[(4-methylphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46007539
(2R)-1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]hex-5-en-2-ol
CID 98629783
(2S)-1-[(4-methoxyphenyl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 93160585
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]hex-5-en-2-ol
CID 93160609
1-[(3-methylphenyl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46007409

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol (CID 46007568) is 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol is C=CCCC(O)CN(Cc1ccc(C)cc1)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol?
The InChIKey is DYGGEQUFACWLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-3-4-5-21(24)16-23(14-18-8-6-17(2)7-9-18)15-19-10-12-20(22)13-11-19/h3,6-13,21,24H,1,4-5,14-16H2,2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol?
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol has a molecular weight of 327.44 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]hex-5-en-2-ol is sourced from PubChem (CID 46007568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).