(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine

C20H21NO — CID 2183529

IUPAC(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
SMILESC[C@H](NCCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(17-8-3-2-4-9-17)21-14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13,16,21H,14-15H2,1H3/t16-/m0/s1
InChIKeyLIAYSDLTJKVOFQ-INIZCTEOSA-N
MW291.39 g/mol
LogP4.57
Rot. Bonds6

About (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine

(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine (PubChem CID 2183529) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
PubChem CID2183529
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
SMILESC[C@H](NCCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(17-8-3-2-4-9-17)21-14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13,16,21H,14-15H2,1H3/t16-/m0/s1
InChIKeyLIAYSDLTJKVOFQ-INIZCTEOSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
CID 2183626
5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
CID 2183530
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
CID 151174384
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
CID 2183627
(1S)-1-phenyl-N-[(2-propoxynaphthalen-1-yl)methyl]ethanamine
CID 29225446
(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
ethyl-dimethyl-[(1S)-3-naphthalen-1-yloxy-1-phenylpropyl]azanium
CID 173469906
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine?
The IUPAC name of (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine (CID 2183529) is (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine is C[C@H](NCCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine?
The InChIKey is LIAYSDLTJKVOFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21NO/c1-16(17-8-3-2-4-9-17)21-14-15-22-20-13-7-11-18-10-5-6-12-19(18)20/h2-13,16,21H,14-15H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine?
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine has a molecular weight of 291.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine is sourced from PubChem (CID 2183529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).