1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine

C18H21NO — CID 82304855

IUPAC1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc3c2CCCC3)cc1
InChIInChI=1S/C18H21NO/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8-13H,2-3,5,7,19H2,1H3
InChIKeyYKPXYAJJYMJVHM-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.38
Rot. Bonds3

About 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine

1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine (PubChem CID 82304855) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
PubChem CID82304855
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cccc3c2CCCC3)cc1
InChIInChI=1S/C18H21NO/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8-13H,2-3,5,7,19H2,1H3
InChIKeyYKPXYAJJYMJVHM-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
CID 29273095
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanethioamide
CID 82083468
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
2-amino-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid
CID 19855453
3,5-dichloro-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)aniline
CID 13246032
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
(1S)-1-[4-[(5-cyclobutyloxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]ethanamine;iodomethane
CID 157100368

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine (CID 82304855) is 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine is CC(N)c1ccc(Oc2cccc3c2CCCC3)cc1.
What is the InChIKey of 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The InChIKey is YKPXYAJJYMJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(19)14-9-11-16(12-10-14)20-18-8-4-6-15-5-2-3-7-17(15)18/h4,6,8-13H,2-3,5,7,19H2,1H3.
What are the key properties of 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine is sourced from PubChem (CID 82304855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).