N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine

C16H20N2O — CID 115207468

IUPACN-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
SMILESCOc1ccc2cc(N(C)CC3CNC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-18(11-12-9-17-10-12)15-5-3-14-8-16(19-2)6-4-13(14)7-15/h3-8,12,17H,9-11H2,1-2H3
InChIKeyHIPTXXQHMYMDMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.50
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine

N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine (PubChem CID 115207468) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
PubChem CID115207468
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
SMILESCOc1ccc2cc(N(C)CC3CNC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-18(11-12-9-17-10-12)15-5-3-14-8-16(19-2)6-4-13(14)7-15/h3-8,12,17H,9-11H2,1-2H3
InChIKeyHIPTXXQHMYMDMF-UHFFFAOYSA-N
XLogP2.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(6-methoxynaphthalen-2-yl)-methylamino]methanethiol
CID 115227861
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
4-[azetidin-3-ylmethyl(methyl)amino]phenol
CID 84664189
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
CID 84672641
1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
CID 115199231
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
3-[(4-methoxyphenyl)methyl]azetidine
CID 16780470
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 115207956
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115207431

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine?
The IUPAC name of N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine (CID 115207468) is N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine is COc1ccc2cc(N(C)CC3CNC3)ccc2c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine?
The InChIKey is HIPTXXQHMYMDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(11-12-9-17-10-12)15-5-3-14-8-16(19-2)6-4-13(14)7-15/h3-8,12,17H,9-11H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine?
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine is sourced from PubChem (CID 115207468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).