1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine

C16H20N2O — CID 65244855

IUPAC1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine
SMILESCOc1ccc2cc(C(C)N3CC(N)C3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-11(18-9-15(17)10-18)12-3-4-14-8-16(19-2)6-5-13(14)7-12/h3-8,11,15H,9-10,17H2,1-2H3
InChIKeyDGCKLQXPEFUNIB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds3

About 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine

1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine (PubChem CID 65244855) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine
PubChem CID65244855
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine
SMILESCOc1ccc2cc(C(C)N3CC(N)C3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-11(18-9-15(17)10-18)12-3-4-14-8-16(19-2)6-5-13(14)7-12/h3-8,11,15H,9-10,17H2,1-2H3
InChIKeyDGCKLQXPEFUNIB-UHFFFAOYSA-N
XLogP2.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
2-[(3S,5R)-3,5-bis(hydroxymethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 134709706
1-[1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-amine
CID 65245145
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine?
The IUPAC name of 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine (CID 65244855) is 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine.
What is the SMILES notation for 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine?
The canonical SMILES for 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine is COc1ccc2cc(C(C)N3CC(N)C3)ccc2c1.
What is the InChIKey of 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine?
The InChIKey is DGCKLQXPEFUNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(18-9-15(17)10-18)12-3-4-14-8-16(19-2)6-5-13(14)7-12/h3-8,11,15H,9-10,17H2,1-2H3.
What are the key properties of 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine?
1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine is sourced from PubChem (CID 65244855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).