N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NO — CID 103768119

IUPACN-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)C1CCOCC1
InChIInChI=1S/C17H25NO/c1-13(14-9-11-19-12-10-14)18-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,13-14,17-18H,4,6,8-12H2,1H3
InChIKeyRTRQFKIIVOSAMB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103768119) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103768119
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)C1CCOCC1
InChIInChI=1S/C17H25NO/c1-13(14-9-11-19-12-10-14)18-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,13-14,17-18H,4,6,8-12H2,1H3
InChIKeyRTRQFKIIVOSAMB-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432
5-[1-(oxan-4-yl)ethylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103779470
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43208516
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103768119) is N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(NC1CCCc2ccccc21)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RTRQFKIIVOSAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(14-9-11-19-12-10-14)18-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,13-14,17-18H,4,6,8-12H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103768119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).