(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride

C14H18ClNO — CID 171218899

IUPAC(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc2cc(OC)ccc2c1.Cl
InChIInChI=1S/C14H17NO.ClH/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12;/h4-9,14H,3,15H2,1-2H3;1H/t14-;/m0./s1
InChIKeyXLPZULBBEONARG-UQKRIMTDSA-N
MW251.76 g/mol
LogP3.68
Rot. Bonds3

About (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride

(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride (PubChem CID 171218899) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
PubChem CID171218899
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc2cc(OC)ccc2c1.Cl
InChIInChI=1S/C14H17NO.ClH/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12;/h4-9,14H,3,15H2,1-2H3;1H/t14-;/m0./s1
InChIKeyXLPZULBBEONARG-UQKRIMTDSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 171312841
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride (CID 171218899) is (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride is CC[C@H](N)c1ccc2cc(OC)ccc2c1.Cl.
What is the InChIKey of (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
The InChIKey is XLPZULBBEONARG-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H17NO.ClH/c1-3-14(15)12-5-4-11-9-13(16-2)7-6-10(11)8-12;/h4-9,14H,3,15H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride?
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171218899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).