N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine

C16H25NO — CID 63771953

IUPACN-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCCOCC1CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-2-10-17-11-12-18-13-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,15,17H,2,5,7-8,10-13H2,1H3
InChIKeySDQUDEZQKPBZCT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine

N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine (PubChem CID 63771953) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
PubChem CID63771953
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
SMILESCCCNCCOCC1CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-2-10-17-11-12-18-13-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,15,17H,2,5,7-8,10-13H2,1H3
InChIKeySDQUDEZQKPBZCT-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.12
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

3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 81022863
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
CID 64573367
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
1-[(2,6-dimethylphenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 83056818
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
CID 64551489
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine (CID 63771953) is N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine is CCCNCCOCC1CCCc2ccccc21.
What is the InChIKey of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine?
The InChIKey is SDQUDEZQKPBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-10-17-11-12-18-13-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,15,17H,2,5,7-8,10-13H2,1H3.
What are the key properties of N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine?
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63771953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).