1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine

C19H27NO — CID 82926079

IUPAC1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
SMILESCCC(CC)COc1c(C(C)NC)ccc2ccccc12
InChIInChI=1S/C19H27NO/c1-5-15(6-2)13-21-19-17(14(3)20-4)12-11-16-9-7-8-10-18(16)19/h7-12,14-15,20H,5-6,13H2,1-4H3
InChIKeyUARMKALCJWWXSP-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.94
Rot. Bonds7

About 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine

1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine (PubChem CID 82926079) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
PubChem CID82926079
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
SMILESCCC(CC)COc1c(C(C)NC)ccc2ccccc12
InChIInChI=1S/C19H27NO/c1-5-15(6-2)13-21-19-17(14(3)20-4)12-11-16-9-7-8-10-18(16)19/h7-12,14-15,20H,5-6,13H2,1-4H3
InChIKeyUARMKALCJWWXSP-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dapoxetine
CID 71353
8-Methoxy-1,2,3,4-tetrahydrobenzo[h]isoquinoline
CID 44352179
Dapoxetine Hydrochloride
CID 71352
(6-Methoxy-2-naphthyl)-2-aminopropane
CID 18070083
(2S,3S)-3-((6-Methoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-7-yl)methyl)amino-2-phenylpiperidine
CID 44593634
3-[[2-(4-Tert-butylcyclohexyl)oxy-4-methylnaphthalen-1-yl]methylamino]propanoic acid
CID 77847762
N,N-Dimethyl-alpha-(2-(1-naphthalenyloxy)ethyl)benzenemethanamine
CID 6093437
N-[(4-methoxynaphthalen-1-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 27271164
1-(2-(benzyloxy)naphthalen-1-yl)-N-methylmethanamine hydrochloride
CID 2964158
4-{2-Methyl-3-[(3-methylphenyl)methoxy]phenyl}piperidine
CID 25263316
(6-Ethoxy-2-naphthyl)-2-aminopropane
CID 44590294
(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine (CID 82926079) is 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine is CCC(CC)COc1c(C(C)NC)ccc2ccccc12.
What is the InChIKey of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine?
The InChIKey is UARMKALCJWWXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-15(6-2)13-21-19-17(14(3)20-4)12-11-16-9-7-8-10-18(16)19/h7-12,14-15,20H,5-6,13H2,1-4H3.
What are the key properties of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine?
1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine is sourced from PubChem (CID 82926079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).