(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine

C18H21NO — CID 78937787

IUPAC(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1OC1CCCc2ccccc21
InChIInChI=1S/C18H21NO/c1-13(19)15-9-4-5-11-17(15)20-18-12-6-8-14-7-2-3-10-16(14)18/h2-5,7,9-11,13,18H,6,8,12,19H2,1H3/t13-,18?/m1/s1
InChIKeyZBHUPQFLPNAYIW-YJJYDOSJSA-N
MW267.37 g/mol
LogP4.16
Rot. Bonds3

About (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine

(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine (PubChem CID 78937787) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
PubChem CID78937787
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1OC1CCCc2ccccc21
InChIInChI=1S/C18H21NO/c1-13(19)15-9-4-5-11-17(15)20-18-12-6-8-14-7-2-3-10-16(14)18/h2-5,7,9-11,13,18H,6,8,12,19H2,1H3/t13-,18?/m1/s1
InChIKeyZBHUPQFLPNAYIW-YJJYDOSJSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-fluoro-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937764
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
1-[2-(bromomethyl)-3-methylbutoxy]-1,2,3,4-tetrahydronaphthalene
CID 65012285
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine (CID 78937787) is (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine is C[C@@H](N)c1ccccc1OC1CCCc2ccccc21.
What is the InChIKey of (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
The InChIKey is ZBHUPQFLPNAYIW-YJJYDOSJSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(19)15-9-4-5-11-17(15)20-18-12-6-8-14-7-2-3-10-16(14)18/h2-5,7,9-11,13,18H,6,8,12,19H2,1H3/t13-,18?/m1/s1.
What are the key properties of (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine?
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine is sourced from PubChem (CID 78937787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).