2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol

C15H19NO3 — CID 22041745

IUPAC2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
SMILESCOc1cc(C(O)C(C)N)c(OC)c2ccccc12
InChIInChI=1S/C15H19NO3/c1-9(16)14(17)12-8-13(18-2)10-6-4-5-7-11(10)15(12)19-3/h4-9,14,17H,16H2,1-3H3
InChIKeyZPXCVBFCSOWXSQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol

2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol (PubChem CID 22041745) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
PubChem CID22041745
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
SMILESCOc1cc(C(O)C(C)N)c(OC)c2ccccc12
InChIInChI=1S/C15H19NO3/c1-9(16)14(17)12-8-13(18-2)10-6-4-5-7-11(10)15(12)19-3/h4-9,14,17H,16H2,1-3H3
InChIKeyZPXCVBFCSOWXSQ-UHFFFAOYSA-N
XLogP2.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol
CID 84705086
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
CID 84705080
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol (CID 22041745) is 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol is COc1cc(C(O)C(C)N)c(OC)c2ccccc12.
What is the InChIKey of 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol?
The InChIKey is ZPXCVBFCSOWXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(16)14(17)12-8-13(18-2)10-6-4-5-7-11(10)15(12)19-3/h4-9,14,17H,16H2,1-3H3.
What are the key properties of 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol?
2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 22041745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).