3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol

C15H19NO3 — CID 66175454

IUPAC3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
SMILESCOc1ccc2cc(CNCC(O)CO)ccc2c1
InChIInChI=1S/C15H19NO3/c1-19-15-5-4-12-6-11(2-3-13(12)7-15)8-16-9-14(18)10-17/h2-7,14,16-18H,8-10H2,1H3
InChIKeyHZYRONYVGQDPIX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.29
Rot. Bonds6

About 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol

3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol (PubChem CID 66175454) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
PubChem CID66175454
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
SMILESCOc1ccc2cc(CNCC(O)CO)ccc2c1
InChIInChI=1S/C15H19NO3/c1-19-15-5-4-12-6-11(2-3-13(12)7-15)8-16-9-14(18)10-17/h2-7,14,16-18H,8-10H2,1H3
InChIKeyHZYRONYVGQDPIX-UHFFFAOYSA-N
XLogP1.29
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221
2-cyclopropyl-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115592755
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
CID 28723100
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol
CID 115122088
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151
3-[(4-bromo-3-methylphenyl)methylamino]propane-1,2-diol
CID 66473650
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol (CID 66175454) is 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol is COc1ccc2cc(CNCC(O)CO)ccc2c1.
What is the InChIKey of 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol?
The InChIKey is HZYRONYVGQDPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-15-5-4-12-6-11(2-3-13(12)7-15)8-16-9-14(18)10-17/h2-7,14,16-18H,8-10H2,1H3.
What are the key properties of 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol?
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol has a molecular weight of 261.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66175454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).