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

C16H25NO — CID 54962641

IUPAC4-[[(4-propylcyclohexyl)amino]methyl]phenol
SMILESCCCC1CCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H25NO/c1-2-3-13-4-8-15(9-5-13)17-12-14-6-10-16(18)11-7-14/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3
InChIKeyZZJKDROHHPDVEY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds5

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

4-[[(4-propylcyclohexyl)amino]methyl]phenol (PubChem CID 54962641) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[(4-propylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-propylcyclohexyl)amino]methyl]phenol
PubChem CID54962641
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[(4-propylcyclohexyl)amino]methyl]phenol
SMILESCCCC1CCC(NCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H25NO/c1-2-3-13-4-8-15(9-5-13)17-12-14-6-10-16(18)11-7-14/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3
InChIKeyZZJKDROHHPDVEY-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-[[(4-propylcyclohexyl)amino]methyl]phenol (CID 54962641) is 4-[[(4-propylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(4-propylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(4-propylcyclohexyl)amino]methyl]phenol is CCCC1CCC(NCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[(4-propylcyclohexyl)amino]methyl]phenol?
The InChIKey is ZZJKDROHHPDVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-13-4-8-15(9-5-13)17-12-14-6-10-16(18)11-7-14/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3.
What are the key properties of 4-[[(4-propylcyclohexyl)amino]methyl]phenol?
4-[[(4-propylcyclohexyl)amino]methyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 54962641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).