(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol

C16H21NO2 — CID 171243957

IUPAC(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc2ccccc2c1[C@@H](N)C(C)(C)CO
InChIInChI=1S/C16H21NO2/c1-16(2,10-18)15(17)14-12-7-5-4-6-11(12)8-9-13(14)19-3/h4-9,15,18H,10,17H2,1-3H3/t15-/m1/s1
InChIKeyYVLUGUAPXLVVFQ-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds4

About (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol

(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 171243957) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID171243957
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc2ccccc2c1[C@@H](N)C(C)(C)CO
InChIInChI=1S/C16H21NO2/c1-16(2,10-18)15(17)14-12-7-5-4-6-11(12)8-9-13(14)19-3/h4-9,15,18H,10,17H2,1-3H3/t15-/m1/s1
InChIKeyYVLUGUAPXLVVFQ-OAHLLOKOSA-N
XLogP2.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(2-methoxynaphthalen-1-yl)propan-1-ol
CID 171243959
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917
(3R)-3-(2-methoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171190221
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(1S)-1-(2-methoxynaphthalen-1-yl)-3-methylbut-3-en-1-amine
CID 171232576
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol (CID 171243957) is (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol is COc1ccc2ccccc2c1[C@@H](N)C(C)(C)CO.
What is the InChIKey of (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is YVLUGUAPXLVVFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,10-18)15(17)14-12-7-5-4-6-11(12)8-9-13(14)19-3/h4-9,15,18H,10,17H2,1-3H3/t15-/m1/s1.
What are the key properties of (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol?
(3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 171243957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).