6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol

C18H21NO — CID 142977779

IUPAC6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol
SMILESOCc1ccccc1.[H]/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C11H13N.C7H8O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12;8-6-7-4-2-1-3-5-7/h5-7,12H,2-4H2,1H3;1-5,8H,6H2/b12-11+;
InChIKeyMVWIPTXQJHIWKO-CALJPSDSSA-N
MW267.37 g/mol
LogP3.88
Rot. Bonds1

About 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol

6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol (PubChem CID 142977779) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol
PubChem CID142977779
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol
SMILESOCc1ccccc1.[H]/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C11H13N.C7H8O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12;8-6-7-4-2-1-3-5-7/h5-7,12H,2-4H2,1H3;1-5,8H,6H2/b12-11+;
InChIKeyMVWIPTXQJHIWKO-CALJPSDSSA-N
XLogP3.88
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol?
The IUPAC name of 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol (CID 142977779) is 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol is OCc1ccccc1.[H]/N=C1\CCCc2cc(C)ccc21.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol?
The InChIKey is MVWIPTXQJHIWKO-CALJPSDSSA-N. The full InChI is InChI=1S/C11H13N.C7H8O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12;8-6-7-4-2-1-3-5-7/h5-7,12H,2-4H2,1H3;1-5,8H,6H2/b12-11+;.
What are the key properties of 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol?
6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol has a molecular weight of 267.37 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol is sourced from PubChem (CID 142977779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).