3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine

C21H23NO — CID 2183626

IUPAC3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
SMILESC[C@H](NCCCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO/c1-17(18-9-3-2-4-10-18)22-15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14,17,22H,8,15-16H2,1H3/t17-/m0/s1
InChIKeyOWDTUONCXUNSSA-KRWDZBQOSA-N
MW305.42 g/mol
LogP4.96
Rot. Bonds7

About 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine

3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine (PubChem CID 2183626) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
PubChem CID2183626
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine
SMILESC[C@H](NCCCOc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C21H23NO/c1-17(18-9-3-2-4-10-18)22-15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14,17,22H,8,15-16H2,1H3/t17-/m0/s1
InChIKeyOWDTUONCXUNSSA-KRWDZBQOSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
3-(2-chlorophenoxy)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;hydrochloride
CID 71723808
5-methyl-N-(2-naphthalen-1-yloxyethyl)hexan-2-amine
CID 63505261
3-naphthalen-1-yloxypropyl-[(1R)-1-phenylethyl]azanium
CID 2183627
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
1-(4-methylpentoxy)naphthalene
CID 83168126
2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
CID 2183530
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
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

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine?
The IUPAC name of 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine (CID 2183626) is 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine?
The canonical SMILES for 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine is C[C@H](NCCCOc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine?
The InChIKey is OWDTUONCXUNSSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23NO/c1-17(18-9-3-2-4-10-18)22-15-8-16-23-21-14-7-12-19-11-5-6-13-20(19)21/h2-7,9-14,17,22H,8,15-16H2,1H3/t17-/m0/s1.
What are the key properties of 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine?
3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-N-[(1S)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 2183626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).