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

C16H21NO2 — CID 3160564

IUPAC2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-3-13(11-18)17-10-15-14-7-5-4-6-12(14)8-9-16(15)19-2/h4-9,13,17-18H,3,10-11H2,1-2H3
InChIKeyZZGOIWAEYNBAAD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.71
Rot. Bonds6

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

2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol (PubChem CID 3160564) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
PubChem CID3160564
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-3-13(11-18)17-10-15-14-7-5-4-6-12(14)8-9-16(15)19-2/h4-9,13,17-18H,3,10-11H2,1-2H3
InChIKeyZZGOIWAEYNBAAD-UHFFFAOYSA-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

2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849156
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849479
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
CID 60780634
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
4-(2-methoxynaphthalen-1-yl)butane-1,2-diol
CID 82185801

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol?
The IUPAC name of 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol (CID 3160564) is 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol is CCC(CO)NCc1c(OC)ccc2ccccc12.
What is the InChIKey of 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol?
The InChIKey is ZZGOIWAEYNBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-13(11-18)17-10-15-14-7-5-4-6-12(14)8-9-16(15)19-2/h4-9,13,17-18H,3,10-11H2,1-2H3.
What are the key properties of 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol?
2-[(2-methoxynaphthalen-1-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 2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol is sourced from PubChem (CID 3160564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).