2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine

C23H27NO — CID 83974158

IUPAC2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCCCOc1ccc(C(CN)Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C23H27NO/c1-3-13-25-23-12-11-19(14-17(23)2)21(16-24)15-20-9-6-8-18-7-4-5-10-22(18)20/h4-12,14,21H,3,13,15-16,24H2,1-2H3
InChIKeyBNFVHGRLDNJTSS-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.22
Rot. Bonds7

About 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine

2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine (PubChem CID 83974158) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
PubChem CID83974158
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
SMILESCCCOc1ccc(C(CN)Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C23H27NO/c1-3-13-25-23-12-11-19(14-17(23)2)21(16-24)15-20-9-6-8-18-7-4-5-10-22(18)20/h4-12,14,21H,3,13,15-16,24H2,1-2H3
InChIKeyBNFVHGRLDNJTSS-UHFFFAOYSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-(3-methyl-4-propoxyphenyl)propan-1-amine
CID 83974142
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
2-(2-methoxy-4,5-dimethylphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83974910
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
2-(4-fluorophenyl)-3-(2-pentoxyphenyl)propan-1-amine
CID 82160370
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 112539017
3-(2-chlorophenyl)-2-(3,4-dimethylphenyl)propan-1-amine
CID 83972767

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
The IUPAC name of 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine (CID 83974158) is 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine.
What is the SMILES notation for 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
The canonical SMILES for 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine is CCCOc1ccc(C(CN)Cc2cccc3ccccc23)cc1C.
What is the InChIKey of 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
The InChIKey is BNFVHGRLDNJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-3-13-25-23-12-11-19(14-17(23)2)21(16-24)15-20-9-6-8-18-7-4-5-10-22(18)20/h4-12,14,21H,3,13,15-16,24H2,1-2H3.
What are the key properties of 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine?
2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine has a molecular weight of 333.48 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propoxyphenyl)-3-naphthalen-1-ylpropan-1-amine is sourced from PubChem (CID 83974158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).