3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine

C16H21NO — CID 112688299

IUPAC3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
SMILESCCOCCC(NC)c1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-18-12-11-16(17-2)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16-17H,3,11-12H2,1-2H3
InChIKeyUPPRRHDYSWLLMY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.53
Rot. Bonds6

About 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine

3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine (PubChem CID 112688299) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
PubChem CID112688299
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
SMILESCCOCCC(NC)c1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-3-18-12-11-16(17-2)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16-17H,3,11-12H2,1-2H3
InChIKeyUPPRRHDYSWLLMY-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 103487413
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
3-ethyl-N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 82923409
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538
3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 106815072
2-(3,3-dimethylbutoxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 66232471
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
(3-ethoxy-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141619
3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine
CID 114997349

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine (CID 112688299) is 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine is CCOCCC(NC)c1cccc2ccccc12.
What is the InChIKey of 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine?
The InChIKey is UPPRRHDYSWLLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-18-12-11-16(17-2)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,16-17H,3,11-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine?
3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 112688299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).