(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine

C17H23NO2 — CID 95127622

IUPAC(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
SMILESCOC[C@H](C)NCCc1c(OC)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(12-19-2)18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)20-3/h4-9,13,18H,10-12H2,1-3H3/t13-/m0/s1
InChIKeyVUJJHORLIRHWHH-ZDUSSCGKSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds7

About (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine

(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine (PubChem CID 95127622) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
PubChem CID95127622
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
SMILESCOC[C@H](C)NCCc1c(OC)ccc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13(12-19-2)18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)20-3/h4-9,13,18H,10-12H2,1-3H3/t13-/m0/s1
InChIKeyVUJJHORLIRHWHH-ZDUSSCGKSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4,4,4-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]butan-2-amine
CID 95130442
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
CID 792105
N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
N-(2-methoxyethoxy)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 82714997

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine (CID 95127622) is (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine is COC[C@H](C)NCCc1c(OC)ccc2ccccc12.
What is the InChIKey of (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine?
The InChIKey is VUJJHORLIRHWHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(12-19-2)18-11-10-16-15-7-5-4-6-14(15)8-9-17(16)20-3/h4-9,13,18H,10-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine?
(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 95127622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).