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

C23H25NO — CID 19384408

IUPAC4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2ccc(-c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H25NO/c24-20-12-14-21(15-13-20)25-16-17-8-10-19(11-9-17)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,20-21H,12-16,24H2
InChIKeyVVWOJFQARHBZDX-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.29
Rot. Bonds4

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

4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine (PubChem CID 19384408) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine
PubChem CID19384408
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine
SMILESNC1CCC(OCc2ccc(-c3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C23H25NO/c24-20-12-14-21(15-13-20)25-16-17-8-10-19(11-9-17)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,20-21H,12-16,24H2
InChIKeyVVWOJFQARHBZDX-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine (CID 19384408) is 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine is NC1CCC(OCc2ccc(-c3cccc4ccccc34)cc2)CC1.
What is the InChIKey of 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine?
The InChIKey is VVWOJFQARHBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c24-20-12-14-21(15-13-20)25-16-17-8-10-19(11-9-17)23-7-3-5-18-4-1-2-6-22(18)23/h1-11,20-21H,12-16,24H2.
What are the key properties of 4-[(4-naphthalen-1-ylphenyl)methoxy]cyclohexan-1-amine?
4-[(4-naphthalen-1-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-1-ylphenyl)methoxy]cyclohexan-1-amine is sourced from PubChem (CID 19384408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).