2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol

C18H23NO2 — CID 114750513

IUPAC2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
SMILESCC(NCC1(CCO)CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NO2/c1-13(19-12-18(8-9-18)10-11-20)15-7-6-14-4-2-3-5-16(14)17(15)21/h2-7,13,19-21H,8-12H2,1H3
InChIKeyGQEWXDYZWUBOLT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol

2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol (PubChem CID 114750513) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
PubChem CID114750513
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol
SMILESCC(NCC1(CCO)CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C18H23NO2/c1-13(19-12-18(8-9-18)10-11-20)15-7-6-14-4-2-3-5-16(14)17(15)21/h2-7,13,19-21H,8-12H2,1H3
InChIKeyGQEWXDYZWUBOLT-UHFFFAOYSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-1-naphthyl)(4-isopropylphenyl)methyl]acetamide
CID 3136143
1-[(Cyclohexylmethylamino)methyl]naphthalen-2-ol
CID 43371473
3-[(Cyclohexylamino)methyl]naphthalen-2-ol;hydrochloride
CID 44523412
1-[(Cyclohexylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 44531318
1,5-Bis[(pentan-3-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531436
1,5-Bis[(butan-2-ylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531443
1,5-Bis[(heptylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531454
1,5-Bis[(hexylamino)methyl]naphthalene-2,6-diol;hydrochloride
CID 44531456
1,5-Bis(propylaminomethyl)naphthalene-2,6-diol;hydrochloride
CID 44531458
2-[(Cyclohexylamino)methyl]-5-methoxynaphthalen-1-ol;hydrochloride
CID 44531462
1-[[(3-Methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531472
1-[[(4-Methylcyclohexyl)amino]methyl]naphthalen-2-ol;hydrochloride
CID 44531473

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol (CID 114750513) is 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol is CC(NCC1(CCO)CC1)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol?
The InChIKey is GQEWXDYZWUBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(19-12-18(8-9-18)10-11-20)15-7-6-14-4-2-3-5-16(14)17(15)21/h2-7,13,19-21H,8-12H2,1H3.
What are the key properties of 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol?
2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]ethyl]naphthalen-1-ol is sourced from PubChem (CID 114750513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).