N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine

C17H21NO — CID 115850967

IUPACN-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)C1CCC(C)O1
InChIInChI=1S/C17H21NO/c1-12-7-10-16(19-12)17(18-2)15-9-8-13-5-3-4-6-14(13)11-15/h3-6,8-9,11-12,16-18H,7,10H2,1-2H3
InChIKeyYBGYGNJAPJHFOG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds3

About N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine

N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine (PubChem CID 115850967) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
PubChem CID115850967
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)C1CCC(C)O1
InChIInChI=1S/C17H21NO/c1-12-7-10-16(19-12)17(18-2)15-9-8-13-5-3-4-6-14(13)11-15/h3-6,8-9,11-12,16-18H,7,10H2,1-2H3
InChIKeyYBGYGNJAPJHFOG-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
1-(4-bromophenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330124
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
N-methyl-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-methyloxolan-2-yl)methanamine
CID 81329816
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330123
N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934
N-methyl-1-(5-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991165
8-[methylamino-(5-methyloxolan-2-yl)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525689
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 115850284
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 64984445

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine (CID 115850967) is N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine is CNC(c1ccc2ccccc2c1)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine?
The InChIKey is YBGYGNJAPJHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-10-16(19-12)17(18-2)15-9-8-13-5-3-4-6-14(13)11-15/h3-6,8-9,11-12,16-18H,7,10H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine?
N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 115850967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).