[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol

C18H23N3O — CID 136569136

IUPAC[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(NCc2nccn2C2CC2)CCCc2ccccc21
InChIInChI=1S/C18H23N3O/c22-13-18(9-3-5-14-4-1-2-6-16(14)18)20-12-17-19-10-11-21(17)15-7-8-15/h1-2,4,6,10-11,15,20,22H,3,5,7-9,12-13H2
InChIKeyTVGJEQJOKCZAQJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.53
Rot. Bonds5

About [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol

[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 136569136) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID136569136
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESOCC1(NCc2nccn2C2CC2)CCCc2ccccc21
InChIInChI=1S/C18H23N3O/c22-13-18(9-3-5-14-4-1-2-6-16(14)18)20-12-17-19-10-11-21(17)15-7-8-15/h1-2,4,6,10-11,15,20,22H,3,5,7-9,12-13H2
InChIKeyTVGJEQJOKCZAQJ-UHFFFAOYSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 136569136) is [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol is OCC1(NCc2nccn2C2CC2)CCCc2ccccc21.
What is the InChIKey of [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is TVGJEQJOKCZAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-13-18(9-3-5-14-4-1-2-6-16(14)18)20-12-17-19-10-11-21(17)15-7-8-15/h1-2,4,6,10-11,15,20,22H,3,5,7-9,12-13H2.
What are the key properties of [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 297.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopropylimidazol-2-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 136569136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).