(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol

C16H21NO2 — CID 28723100

IUPAC(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H21NO2/c1-3-15(11-18)17-10-12-4-5-14-9-16(19-2)7-6-13(14)8-12/h4-9,15,17-18H,3,10-11H2,1-2H3/t15-/m0/s1
InChIKeyNTXLWOFHIAEFJI-HNNXBMFYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol

(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol (PubChem CID 28723100) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
PubChem CID28723100
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H21NO2/c1-3-15(11-18)17-10-12-4-5-14-9-16(19-2)7-6-13(14)8-12/h4-9,15,17-18H,3,10-11H2,1-2H3/t15-/m0/s1
InChIKeyNTXLWOFHIAEFJI-HNNXBMFYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
1-(6-methoxynaphthalen-2-yl)butan-2-ol
CID 67660924
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
(2S)-2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 40726397
(2R)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 104922945
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol (CID 28723100) is (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol?
The InChIKey is NTXLWOFHIAEFJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-15(11-18)17-10-12-4-5-14-9-16(19-2)7-6-13(14)8-12/h4-9,15,17-18H,3,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol?
(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 28723100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).