(1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H19NO — CID 44560712

IUPAC(1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1O[C@H]1CC[C@@H](N)c2ccccc21
InChIInChI=1S/C17H19NO/c1-12-6-2-5-9-16(12)19-17-11-10-15(18)13-7-3-4-8-14(13)17/h2-9,15,17H,10-11,18H2,1H3/t15-,17+/m1/s1
InChIKeyWZVJYHZPOKMITP-WBVHZDCISA-N
MW253.35 g/mol
LogP3.91
Rot. Bonds2

About (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 44560712) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID44560712
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccccc1O[C@H]1CC[C@@H](N)c2ccccc21
InChIInChI=1S/C17H19NO/c1-12-6-2-5-9-16(12)19-17-11-10-15(18)13-7-3-4-8-14(13)17/h2-9,15,17H,10-11,18H2,1H3/t15-,17+/m1/s1
InChIKeyWZVJYHZPOKMITP-WBVHZDCISA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 44560712) is (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccccc1O[C@H]1CC[C@@H](N)c2ccccc21.
What is the InChIKey of (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WZVJYHZPOKMITP-WBVHZDCISA-N. The full InChI is InChI=1S/C17H19NO/c1-12-6-2-5-9-16(12)19-17-11-10-15(18)13-7-3-4-8-14(13)17/h2-9,15,17H,10-11,18H2,1H3/t15-,17+/m1/s1.
What are the key properties of (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 253.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 44560712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).