(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine

C16H21NO2 — CID 792105

IUPAC(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1ccc(OC)c2ccccc12
InChIInChI=1S/C16H21NO2/c1-12(11-18-2)17-10-13-8-9-16(19-3)15-7-5-4-6-14(13)15/h4-9,12,17H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyHZARHADGQPNARO-LBPRGKRZSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds6

About (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine

(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine (PubChem CID 792105) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
PubChem CID792105
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
SMILESCOC[C@H](C)NCc1ccc(OC)c2ccccc12
InChIInChI=1S/C16H21NO2/c1-12(11-18-2)17-10-13-8-9-16(19-3)15-7-5-4-6-14(13)15/h4-9,12,17H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyHZARHADGQPNARO-LBPRGKRZSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine
CID 104827856
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
(2S)-1-methoxy-N-[2-(2-methoxynaphthalen-1-yl)ethyl]propan-2-amine
CID 95127622
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
(2S)-1-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 775205
2-(hydroxymethyl)-2-[(4-methoxynaphthalen-1-yl)methylamino]propane-1,3-diol
CID 107850406
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine (CID 792105) is (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine is COC[C@H](C)NCc1ccc(OC)c2ccccc12.
What is the InChIKey of (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine?
The InChIKey is HZARHADGQPNARO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(11-18-2)17-10-13-8-9-16(19-3)15-7-5-4-6-14(13)15/h4-9,12,17H,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine?
(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 792105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).