4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

C16H25NO — CID 116926239

IUPAC4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)Oc1ccc(CC2CCC(N)CC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h5-6,9-10,12-13,15H,3-4,7-8,11,17H2,1-2H3
InChIKeyPMIXEVRPQJLRGC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.53
Rot. Bonds4

About 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine

4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 116926239) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
PubChem CID116926239
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
SMILESCC(C)Oc1ccc(CC2CCC(N)CC2)cc1
InChIInChI=1S/C16H25NO/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h5-6,9-10,12-13,15H,3-4,7-8,11,17H2,1-2H3
InChIKeyPMIXEVRPQJLRGC-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine (CID 116926239) is 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is CC(C)Oc1ccc(CC2CCC(N)CC2)cc1.
What is the InChIKey of 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PMIXEVRPQJLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)18-16-9-5-14(6-10-16)11-13-3-7-15(17)8-4-13/h5-6,9-10,12-13,15H,3-4,7-8,11,17H2,1-2H3.
What are the key properties of 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine?
4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116926239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).