3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol

C17H23NO — CID 143394771

IUPAC3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
SMILESCN(CCC(O)C1=CCCC=C1)Cc1ccccc1
InChIInChI=1S/C17H23NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2,4-6,8-11,17,19H,3,7,12-14H2,1H3
InChIKeyZDVLTHFVABNCSG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol

3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol (PubChem CID 143394771) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
PubChem CID143394771
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
SMILESCN(CCC(O)C1=CCCC=C1)Cc1ccccc1
InChIInChI=1S/C17H23NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2,4-6,8-11,17,19H,3,7,12-14H2,1H3
InChIKeyZDVLTHFVABNCSG-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383331
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-cyclohexa-1,5-dien-1-yl-5,5-dimethylhexan-1-ol
CID 173132142
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
3-[benzyl(methyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
CID 82074544
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol?
The IUPAC name of 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol (CID 143394771) is 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol is CN(CCC(O)C1=CCCC=C1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol?
The InChIKey is ZDVLTHFVABNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-18(14-15-8-4-2-5-9-15)13-12-17(19)16-10-6-3-7-11-16/h2,4-6,8-11,17,19H,3,7,12-14H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol?
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol is sourced from PubChem (CID 143394771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).