[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol

C18H21NO — CID 63152797

IUPAC[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol
SMILESCc1cc(N2CCCc3ccccc3C2)ccc1CO
InChIInChI=1S/C18H21NO/c1-14-11-18(9-8-17(14)13-20)19-10-4-7-15-5-2-3-6-16(15)12-19/h2-3,5-6,8-9,11,20H,4,7,10,12-13H2,1H3
InChIKeyFXOHLNGTMPILRB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.44
Rot. Bonds2

About [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol

[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol (PubChem CID 63152797) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol
PubChem CID63152797
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol
SMILESCc1cc(N2CCCc3ccccc3C2)ccc1CO
InChIInChI=1S/C18H21NO/c1-14-11-18(9-8-17(14)13-20)19-10-4-7-15-5-2-3-6-16(15)12-19/h2-3,5-6,8-9,11,20H,4,7,10,12-13H2,1H3
InChIKeyFXOHLNGTMPILRB-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol?
The IUPAC name of [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol (CID 63152797) is [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol.
What is the SMILES notation for [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol?
The canonical SMILES for [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol is Cc1cc(N2CCCc3ccccc3C2)ccc1CO.
What is the InChIKey of [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol?
The InChIKey is FXOHLNGTMPILRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-11-18(9-8-17(14)13-20)19-10-4-7-15-5-2-3-6-16(15)12-19/h2-3,5-6,8-9,11,20H,4,7,10,12-13H2,1H3.
What are the key properties of [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol?
[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol has a molecular weight of 267.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol is sourced from PubChem (CID 63152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).