2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol

C19H25NO2 — CID 54849156

IUPAC2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
SMILESC=C(C)COc1ccc2ccccc2c1CNC(CC)CO
InChIInChI=1S/C19H25NO2/c1-4-16(12-21)20-11-18-17-8-6-5-7-15(17)9-10-19(18)22-13-14(2)3/h5-10,16,20-21H,2,4,11-13H2,1,3H3
InChIKeyDZDATTWWGYDEQC-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.66
Rot. Bonds8

About 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol

2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol (PubChem CID 54849156) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
PubChem CID54849156
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
SMILESC=C(C)COc1ccc2ccccc2c1CNC(CC)CO
InChIInChI=1S/C19H25NO2/c1-4-16(12-21)20-11-18-17-8-6-5-7-15(17)9-10-19(18)22-13-14(2)3/h5-10,16,20-21H,2,4,11-13H2,1,3H3
InChIKeyDZDATTWWGYDEQC-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
N-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848912
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
1,2-bis(2-methylprop-2-enoxy)naphthalene
CID 139631746
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
2-(2-methylprop-2-enoxy)naphthalene-1-carbaldehyde
CID 4737132
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
trifluoro-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]boranuide
CID 63677261
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
CID 43505572
(2R)-N-[(2-prop-2-ynoxynaphthalen-1-yl)methyl]butan-2-amine
CID 94074371

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol (CID 54849156) is 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol is C=C(C)COc1ccc2ccccc2c1CNC(CC)CO.
What is the InChIKey of 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol?
The InChIKey is DZDATTWWGYDEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-16(12-21)20-11-18-17-8-6-5-7-15(17)9-10-19(18)22-13-14(2)3/h5-10,16,20-21H,2,4,11-13H2,1,3H3.
What are the key properties of 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol?
2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol is sourced from PubChem (CID 54849156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).