4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine

C23H25NO — CID 19384389

IUPAC4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2ccc(-c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C23H25NO/c24-22-11-13-23(14-12-22)25-16-17-5-7-19(8-6-17)21-10-9-18-3-1-2-4-20(18)15-21/h1-10,15,22-23H,11-14,16,24H2
InChIKeyOSOFVIBHWCZGSM-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.29
Rot. Bonds4

About 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine

4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine (PubChem CID 19384389) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine
PubChem CID19384389
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2ccc(-c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C23H25NO/c24-22-11-13-23(14-12-22)25-16-17-5-7-19(8-6-17)21-10-9-18-3-1-2-4-20(18)15-21/h1-10,15,22-23H,11-14,16,24H2
InChIKeyOSOFVIBHWCZGSM-UHFFFAOYSA-N
XLogP5.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70789272
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1-(3,5-Dimethyl-benzyloxymethyl)-2-naphthalen-1-yl-ethylamine
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine (CID 19384389) is 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine is NC1CCC(OCc2ccc(-c3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine?
The InChIKey is OSOFVIBHWCZGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c24-22-11-13-23(14-12-22)25-16-17-5-7-19(8-6-17)21-10-9-18-3-1-2-4-20(18)15-21/h1-10,15,22-23H,11-14,16,24H2.
What are the key properties of 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine?
4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-naphthalen-2-ylphenyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 19384389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).