(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine

C14H15F2NO — CID 171312841

IUPAC(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
SMILESCOc1ccc2cc([C@@H](N)CC(F)F)ccc2c1
InChIInChI=1S/C14H15F2NO/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)13(17)8-14(15)16/h2-7,13-14H,8,17H2,1H3/t13-/m0/s1
InChIKeyMYQIBNVCWUROCC-ZDUSSCGKSA-N
MW251.28 g/mol
LogP3.50
Rot. Bonds4

About (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine

(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine (PubChem CID 171312841) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
PubChem CID171312841
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine
SMILESCOc1ccc2cc([C@@H](N)CC(F)F)ccc2c1
InChIInChI=1S/C14H15F2NO/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)13(17)8-14(15)16/h2-7,13-14H,8,17H2,1H3/t13-/m0/s1
InChIKeyMYQIBNVCWUROCC-ZDUSSCGKSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
(1S)-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218899
(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
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907
1,3-diamino-1-(6-methoxynaphthalen-2-yl)propan-2-ol
CID 116942613
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine?
The IUPAC name of (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine (CID 171312841) is (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine is COc1ccc2cc([C@@H](N)CC(F)F)ccc2c1.
What is the InChIKey of (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine?
The InChIKey is MYQIBNVCWUROCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-18-12-5-4-9-6-11(3-2-10(9)7-12)13(17)8-14(15)16/h2-7,13-14H,8,17H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine?
(1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 171312841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).