[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol

C15H20N2O — CID 154107415

IUPAC[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol
SMILESCNC1(NC)C=CC(C(O)c2ccccc2)=CC1
InChIInChI=1S/C15H20N2O/c1-16-15(17-2)10-8-13(9-11-15)14(18)12-6-4-3-5-7-12/h3-10,14,16-18H,11H2,1-2H3
InChIKeyLCGGUDMPOSOEAE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.74
Rot. Bonds4

About [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol

[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol (PubChem CID 154107415) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol.

Molecular Properties

Compound Name[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol
PubChem CID154107415
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol
SMILESCNC1(NC)C=CC(C(O)c2ccccc2)=CC1
InChIInChI=1S/C15H20N2O/c1-16-15(17-2)10-8-13(9-11-15)14(18)12-6-4-3-5-7-12/h3-10,14,16-18H,11H2,1-2H3
InChIKeyLCGGUDMPOSOEAE-UHFFFAOYSA-N
XLogP1.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(benzenecarboximidoyl)-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
CID 154301165
cyclohepta-1,4,6-trien-1-yl(phenyl)methanol;ethane
CID 143019202
ethyl 1-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-4-[hydroxy(phenyl)methyl]cyclohexa-2,4-diene-1-carboxylate
CID 67857862
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
cyclodecapentaenyl(methylamino)methanol
CID 129203731
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(2R)-2-(methylaminomethyl)-1-phenylpropane-1,3-diol
CID 67123250
(S)-(2-methyl-4-pyridinyl)-phenylmethanol
CID 122230271
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
(2,3,4,5,6-pentamethylphenyl)-phenylmethanol
CID 2803280
1-[4,4-di(propan-2-yl)cyclohexa-1,5-dien-1-yl]-2-hydroxy-2-phenylethanone
CID 70596613

Frequently Asked Questions

What is the IUPAC name of [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol?
The IUPAC name of [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol (CID 154107415) is [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol.
What is the SMILES notation for [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol?
The canonical SMILES for [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol is CNC1(NC)C=CC(C(O)c2ccccc2)=CC1.
What is the InChIKey of [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol?
The InChIKey is LCGGUDMPOSOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16-15(17-2)10-8-13(9-11-15)14(18)12-6-4-3-5-7-12/h3-10,14,16-18H,11H2,1-2H3.
What are the key properties of [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol?
[4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol has a molecular weight of 244.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(methylamino)cyclohexa-1,5-dien-1-yl]-phenylmethanol is sourced from PubChem (CID 154107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).