4-[[cyclohexyl(methyl)amino]methyl]phenol

C14H21NO — CID 783013

IUPAC4-[[cyclohexyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h7-10,13,16H,2-6,11H2,1H3
InChIKeyFLVJRVBDDZXZAC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.16
Rot. Bonds3

About 4-[[cyclohexyl(methyl)amino]methyl]phenol

4-[[cyclohexyl(methyl)amino]methyl]phenol (PubChem CID 783013) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)amino]methyl]phenol
PubChem CID783013
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[[cyclohexyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h7-10,13,16H,2-6,11H2,1H3
InChIKeyFLVJRVBDDZXZAC-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]phenol?
The IUPAC name of 4-[[cyclohexyl(methyl)amino]methyl]phenol (CID 783013) is 4-[[cyclohexyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[cyclohexyl(methyl)amino]methyl]phenol?
The canonical SMILES for 4-[[cyclohexyl(methyl)amino]methyl]phenol is CN(Cc1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(methyl)amino]methyl]phenol?
The InChIKey is FLVJRVBDDZXZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(16)10-8-12/h7-10,13,16H,2-6,11H2,1H3.
What are the key properties of 4-[[cyclohexyl(methyl)amino]methyl]phenol?
4-[[cyclohexyl(methyl)amino]methyl]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).