[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine

C17H19NO — CID 116874836

IUPAC[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
SMILESNCC1(C2(c3cccc4ccccc34)COC2)CC1
InChIInChI=1S/C17H19NO/c18-10-16(8-9-16)17(11-19-12-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12,18H2
InChIKeyLBLNGFRQTPPFDP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.85
Rot. Bonds3

About [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine

[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine (PubChem CID 116874836) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
PubChem CID116874836
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
SMILESNCC1(C2(c3cccc4ccccc34)COC2)CC1
InChIInChI=1S/C17H19NO/c18-10-16(8-9-16)17(11-19-12-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12,18H2
InChIKeyLBLNGFRQTPPFDP-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-3-naphthalen-1-yloxetane
CID 116876457
3-naphthalen-1-yloxetan-3-ol
CID 116873048
3-chloro-3-naphthalen-1-yloxetane
CID 116876568
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine
CID 116870023
[1-[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874803
N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
CID 116870622
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
[3-(aminomethyl)oxetan-3-yl]-naphthalen-1-ylmethanone
CID 116922800
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
[1-(naphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 65391703
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151

Frequently Asked Questions

What is the IUPAC name of [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine (CID 116874836) is [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine is NCC1(C2(c3cccc4ccccc34)COC2)CC1.
What is the InChIKey of [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine?
The InChIKey is LBLNGFRQTPPFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-10-16(8-9-16)17(11-19-12-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12,18H2.
What are the key properties of [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine?
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116874836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).