N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H21NO — CID 81301213

IUPACN-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCNC1CCC(C)c2ccccc21
InChIInChI=1S/C14H21NO/c1-11-7-8-14(15-9-10-16-2)13-6-4-3-5-12(11)13/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyKKWBLPATWXBPRU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds4

About N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 81301213) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID81301213
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOCCNC1CCC(C)c2ccccc21
InChIInChI=1S/C14H21NO/c1-11-7-8-14(15-9-10-16-2)13-6-4-3-5-12(11)13/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyKKWBLPATWXBPRU-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
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

4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
N'-cyclopropyl-N'-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 115418399
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115418093
4-methyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113348664
4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81297954
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
4-methyl-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418185
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
CID 106252229
4-methyl-N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418179
N-(cyclohex-3-en-1-ylmethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418373

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 81301213) is N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COCCNC1CCC(C)c2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KKWBLPATWXBPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-8-14(15-9-10-16-2)13-6-4-3-5-12(11)13/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 81301213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).