2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol

C20H27NO3 — CID 54849479

IUPAC2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(OCC2CCCO2)ccc2ccccc12
InChIInChI=1S/C20H27NO3/c1-2-16(13-22)21-12-19-18-8-4-3-6-15(18)9-10-20(19)24-14-17-7-5-11-23-17/h3-4,6,8-10,16-17,21-22H,2,5,7,11-14H2,1H3
InChIKeyPKAXHOFYLNSRJH-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.26
Rot. Bonds8

About 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol

2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol (PubChem CID 54849479) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
PubChem CID54849479
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1c(OCC2CCCO2)ccc2ccccc12
InChIInChI=1S/C20H27NO3/c1-2-16(13-22)21-12-19-18-8-4-3-6-15(18)9-10-20(19)24-14-17-7-5-11-23-17/h3-4,6,8-10,16-17,21-22H,2,5,7,11-14H2,1H3
InChIKeyPKAXHOFYLNSRJH-UHFFFAOYSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54804932
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]prop-2-en-1-amine
CID 54849922
3-methyl-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]cyclohexan-1-amine
CID 54848963
2-[[2-(2-methylprop-2-enoxy)naphthalen-1-yl]methylamino]butan-1-ol
CID 54849156
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847821
2-[2-(oxan-2-ylmethoxy)naphthalen-1-yl]ethanamine
CID 60905678
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]propanoic acid
CID 54848186
1-[(2R)-oxolan-2-yl]-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2111519
1-(oxolan-2-yl)-N-[(2-prop-2-enoxynaphthalen-1-yl)methyl]methanamine
CID 2969882
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol (CID 54849479) is 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol is CCC(CO)NCc1c(OCC2CCCO2)ccc2ccccc12.
What is the InChIKey of 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol?
The InChIKey is PKAXHOFYLNSRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-2-16(13-22)21-12-19-18-8-4-3-6-15(18)9-10-20(19)24-14-17-7-5-11-23-17/h3-4,6,8-10,16-17,21-22H,2,5,7,11-14H2,1H3.
What are the key properties of 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol?
2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol has a molecular weight of 329.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methylamino]butan-1-ol is sourced from PubChem (CID 54849479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).