2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine

C17H21NO — CID 116870023

IUPAC2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine
SMILESCC(C)(N)CC1(c2cccc3ccccc23)COC1
InChIInChI=1S/C17H21NO/c1-16(2,18)10-17(11-19-12-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-12,18H2,1-2H3
InChIKeySBOIIWMXXWXJLB-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.24
Rot. Bonds3

About 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine

2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine (PubChem CID 116870023) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine
PubChem CID116870023
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine
SMILESCC(C)(N)CC1(c2cccc3ccccc23)COC1
InChIInChI=1S/C17H21NO/c1-16(2,18)10-17(11-19-12-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-12,18H2,1-2H3
InChIKeySBOIIWMXXWXJLB-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine (CID 116870023) is 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine is CC(C)(N)CC1(c2cccc3ccccc23)COC1.
What is the InChIKey of 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine?
The InChIKey is SBOIIWMXXWXJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-16(2,18)10-17(11-19-12-17)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-12,18H2,1-2H3.
What are the key properties of 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine?
2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine is sourced from PubChem (CID 116870023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).