2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride

C15H20ClNO3 — CID 170893398

IUPAC2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
SMILESCOc1ccc2c(OC)ccc(CC(N)CO)c2c1.Cl
InChIInChI=1S/C15H19NO3.ClH/c1-18-12-4-5-13-14(8-12)10(7-11(16)9-17)3-6-15(13)19-2;/h3-6,8,11,17H,7,9,16H2,1-2H3;1H
InChIKeyZUCZIKSSKBRYSC-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride

2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride (PubChem CID 170893398) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
PubChem CID170893398
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
SMILESCOc1ccc2c(OC)ccc(CC(N)CO)c2c1.Cl
InChIInChI=1S/C15H19NO3.ClH/c1-18-12-4-5-13-14(8-12)10(7-11(16)9-17)3-6-15(13)19-2;/h3-6,8,11,17H,7,9,16H2,1-2H3;1H
InChIKeyZUCZIKSSKBRYSC-UHFFFAOYSA-N
XLogP2.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,7-dimethoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170889238
4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
CID 157306599
2-amino-3-[4-methoxy-2-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893691
2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170892243
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride (CID 170893398) is 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride is COc1ccc2c(OC)ccc(CC(N)CO)c2c1.Cl.
What is the InChIKey of 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
The InChIKey is ZUCZIKSSKBRYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.ClH/c1-18-12-4-5-13-14(8-12)10(7-11(16)9-17)3-6-15(13)19-2;/h3-6,8,11,17H,7,9,16H2,1-2H3;1H.
What are the key properties of 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride?
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride has a molecular weight of 297.78 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).