4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol

C22H27NO — CID 3026470

IUPAC4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol
SMILESC=CCN(CC=C)CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-3-17-23(18-4-2)19-11-16-22(24,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15,24H,1-2,11,16-19H2
InChIKeyWTHHARVZXNNDOH-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.38
Rot. Bonds10

About 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol

4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol (PubChem CID 3026470) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol
PubChem CID3026470
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol
SMILESC=CCN(CC=C)CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO/c1-3-17-23(18-4-2)19-11-16-22(24,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15,24H,1-2,11,16-19H2
InChIKeyWTHHARVZXNNDOH-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.38
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-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
CID 113339929
4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 110173878
1-(3-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-1-ol
CID 24834786
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
4,4-diphenyl-N,N-bis(prop-2-enyl)but-3-en-1-amine
CID 3026468
4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
CID 19909925
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
1-phenylbut-3-ene-1,1-diol
CID 134892936
N-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 55094933

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol (CID 3026470) is 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol is C=CCN(CC=C)CCCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol?
The InChIKey is WTHHARVZXNNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-3-17-23(18-4-2)19-11-16-22(24,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15,24H,1-2,11,16-19H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol?
4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol is sourced from PubChem (CID 3026470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).