3-[[(4-propylcyclohexyl)amino]methyl]phenol

C16H25NO — CID 54962735

IUPAC3-[[(4-propylcyclohexyl)amino]methyl]phenol
SMILESCCCC1CCC(NCc2cccc(O)c2)CC1
InChIInChI=1S/C16H25NO/c1-2-4-13-7-9-15(10-8-13)17-12-14-5-3-6-16(18)11-14/h3,5-6,11,13,15,17-18H,2,4,7-10,12H2,1H3
InChIKeyJYFCTEVMWIYIJM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.84
Rot. Bonds5

About 3-[[(4-propylcyclohexyl)amino]methyl]phenol

3-[[(4-propylcyclohexyl)amino]methyl]phenol (PubChem CID 54962735) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[(4-propylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-propylcyclohexyl)amino]methyl]phenol
PubChem CID54962735
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[[(4-propylcyclohexyl)amino]methyl]phenol
SMILESCCCC1CCC(NCc2cccc(O)c2)CC1
InChIInChI=1S/C16H25NO/c1-2-4-13-7-9-15(10-8-13)17-12-14-5-3-6-16(18)11-14/h3,5-6,11,13,15,17-18H,2,4,7-10,12H2,1H3
InChIKeyJYFCTEVMWIYIJM-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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Related Compounds

4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105401447
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
3-[(3-cyclopropylpropylamino)methyl]phenol
CID 115639607
4-propyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexan-1-amine
CID 103437694
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(4-propylcyclohexyl)amino]methyl]phenol (CID 54962735) is 3-[[(4-propylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(4-propylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(4-propylcyclohexyl)amino]methyl]phenol is CCCC1CCC(NCc2cccc(O)c2)CC1.
What is the InChIKey of 3-[[(4-propylcyclohexyl)amino]methyl]phenol?
The InChIKey is JYFCTEVMWIYIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-4-13-7-9-15(10-8-13)17-12-14-5-3-6-16(18)11-14/h3,5-6,11,13,15,17-18H,2,4,7-10,12H2,1H3.
What are the key properties of 3-[[(4-propylcyclohexyl)amino]methyl]phenol?
3-[[(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 3-[[(4-propylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 54962735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).