3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol

C18H25NO2 — CID 63056266

IUPAC3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
SMILESCC(C)CNCc1c(OCCCO)ccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-14(2)12-19-13-17-16-7-4-3-6-15(16)8-9-18(17)21-11-5-10-20/h3-4,6-9,14,19-20H,5,10-13H2,1-2H3
InChIKeyCRHOAQPPKZASEL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.35
Rot. Bonds8

About 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol

3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol (PubChem CID 63056266) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
PubChem CID63056266
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
SMILESCC(C)CNCc1c(OCCCO)ccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-14(2)12-19-13-17-16-7-4-3-6-15(16)8-9-18(17)21-11-5-10-20/h3-4,6-9,14,19-20H,5,10-13H2,1-2H3
InChIKeyCRHOAQPPKZASEL-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930
3-[1-[(2-methoxyethylamino)methyl]naphthalen-2-yl]oxypropan-1-ol
CID 63057433
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
2-[2-[1-(ethylaminomethyl)naphthalen-2-yl]oxyethoxy]ethanol
CID 61070673
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529
N-(anthracen-9-ylmethyl)-2-methylpropan-1-amine;hydrochloride
CID 50999583

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
The IUPAC name of 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol (CID 63056266) is 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
The canonical SMILES for 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol is CC(C)CNCc1c(OCCCO)ccc2ccccc12.
What is the InChIKey of 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
The InChIKey is CRHOAQPPKZASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)12-19-13-17-16-7-4-3-6-15(16)8-9-18(17)21-11-5-10-20/h3-4,6-9,14,19-20H,5,10-13H2,1-2H3.
What are the key properties of 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol?
3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol has a molecular weight of 287.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropylamino)methyl]naphthalen-2-yl]oxypropan-1-ol is sourced from PubChem (CID 63056266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).