N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine

C16H21NO — CID 82550302

IUPACN-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine
SMILESCNCCc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C16H21NO/c1-12(2)18-16-9-8-13(10-11-17-3)14-6-4-5-7-15(14)16/h4-9,12,17H,10-11H2,1-3H3
InChIKeyGPPWKPQPCMGUPZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.39
Rot. Bonds5

About N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine

N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine (PubChem CID 82550302) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine
PubChem CID82550302
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine
SMILESCNCCc1ccc(OC(C)C)c2ccccc12
InChIInChI=1S/C16H21NO/c1-12(2)18-16-9-8-13(10-11-17-3)14-6-4-5-7-15(14)16/h4-9,12,17H,10-11H2,1-3H3
InChIKeyGPPWKPQPCMGUPZ-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550374
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
N-methyl-4-propan-2-yloxynaphthalen-1-amine
CID 82263217
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466
[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
CID 169273803
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine (CID 82550302) is N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine is CNCCc1ccc(OC(C)C)c2ccccc12.
What is the InChIKey of N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine?
The InChIKey is GPPWKPQPCMGUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)18-16-9-8-13(10-11-17-3)14-6-4-5-7-15(14)16/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine?
N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine is sourced from PubChem (CID 82550302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).