3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine

C20H21NO — CID 19884969

IUPAC3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
SMILESCc1ccc(OCCC(N)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H21NO/c1-15-11-12-20(18-10-6-5-9-17(15)18)22-14-13-19(21)16-7-3-2-4-8-16/h2-12,19H,13-14,21H2,1H3
InChIKeyBNOQKHQOFINXRF-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.62
Rot. Bonds5

About 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine

3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine (PubChem CID 19884969) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
PubChem CID19884969
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine
SMILESCc1ccc(OCCC(N)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H21NO/c1-15-11-12-20(18-10-6-5-9-17(15)18)22-14-13-19(21)16-7-3-2-4-8-16/h2-12,19H,13-14,21H2,1H3
InChIKeyBNOQKHQOFINXRF-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
CID 15349996
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-[(4-methylnaphthalen-1-yl)oxymethyl]aniline
CID 166926347
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
(1S)-3-fluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171228539
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
1-(2-cyclohexylethoxy)-4-methylnaphthalene
CID 123891413
dimethyl 2-[2-[4-(4-methoxy-3-methoxycarbonyl-4-oxobutoxy)naphthalen-1-yl]oxyethyl]propanedioate
CID 175948791
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015
(1S)-1-(4-methylnaphthalen-1-yl)butan-1-amine;hydrochloride
CID 171228525
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine (CID 19884969) is 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine is Cc1ccc(OCCC(N)c2ccccc2)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine?
The InChIKey is BNOQKHQOFINXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-15-11-12-20(18-10-6-5-9-17(15)18)22-14-13-19(21)16-7-3-2-4-8-16/h2-12,19H,13-14,21H2,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine?
3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)oxy-1-phenylpropan-1-amine is sourced from PubChem (CID 19884969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).