(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine

C19H19NO — CID 28541442

IUPAC(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
SMILESCc1ccc(OC[C@@H](N)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO/c1-14-9-11-16(12-10-14)21-13-19(20)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13,20H2,1H3/t19-/m1/s1
InChIKeyCNBZPYDFBUOWMW-LJQANCHMSA-N
MW277.37 g/mol
LogP4.23
Rot. Bonds4

About (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine

(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine (PubChem CID 28541442) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
PubChem CID28541442
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
SMILESCc1ccc(OC[C@@H](N)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO/c1-14-9-11-16(12-10-14)21-13-19(20)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13,20H2,1H3/t19-/m1/s1
InChIKeyCNBZPYDFBUOWMW-LJQANCHMSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728
1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184047
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
2-(4-chlorophenoxy)-1-isoquinolin-8-ylethanamine
CID 103137226
2-chloro-1-naphthalen-1-ylethanamine
CID 116937640
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine?
The IUPAC name of (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine (CID 28541442) is (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine?
The canonical SMILES for (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine is Cc1ccc(OC[C@@H](N)c2cccc3ccccc23)cc1.
What is the InChIKey of (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine?
The InChIKey is CNBZPYDFBUOWMW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-9-11-16(12-10-14)21-13-19(20)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13,20H2,1H3/t19-/m1/s1.
What are the key properties of (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine?
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine has a molecular weight of 277.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 28541442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).