4-[1-(1-cyclohexylpropylamino)ethyl]phenol

C17H27NO — CID 62407507

IUPAC4-[1-(1-cyclohexylpropylamino)ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-17(15-7-5-4-6-8-15)18-13(2)14-9-11-16(19)12-10-14/h9-13,15,17-19H,3-8H2,1-2H3
InChIKeyFOQCTHBCYJAHFF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.40
Rot. Bonds5

About 4-[1-(1-cyclohexylpropylamino)ethyl]phenol

4-[1-(1-cyclohexylpropylamino)ethyl]phenol (PubChem CID 62407507) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[1-(1-cyclohexylpropylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(1-cyclohexylpropylamino)ethyl]phenol
PubChem CID62407507
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[1-(1-cyclohexylpropylamino)ethyl]phenol
SMILESCCC(NC(C)c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-17(15-7-5-4-6-8-15)18-13(2)14-9-11-16(19)12-10-14/h9-13,15,17-19H,3-8H2,1-2H3
InChIKeyFOQCTHBCYJAHFF-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
2-[1-(1-cyclohexylpropylamino)ethyl]benzene-1,3-diol
CID 107710925
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63477674
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026
5-[1-(1-cyclohexylpropylamino)ethyl]furan-2-carboxylic acid
CID 103249989
6-[(1-cyclohexylpropylamino)methyl]pyridin-3-ol
CID 79793819
2-(1-cyclohexylpropylamino)propan-1-ol
CID 115724810
5-[1-(1-cyclohexylethylamino)ethyl]benzene-1,3-diol
CID 107706461
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929
4-(1-cyclopropylpropylamino)phenol
CID 64918837

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-cyclohexylpropylamino)ethyl]phenol?
The IUPAC name of 4-[1-(1-cyclohexylpropylamino)ethyl]phenol (CID 62407507) is 4-[1-(1-cyclohexylpropylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(1-cyclohexylpropylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(1-cyclohexylpropylamino)ethyl]phenol is CCC(NC(C)c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of 4-[1-(1-cyclohexylpropylamino)ethyl]phenol?
The InChIKey is FOQCTHBCYJAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-17(15-7-5-4-6-8-15)18-13(2)14-9-11-16(19)12-10-14/h9-13,15,17-19H,3-8H2,1-2H3.
What are the key properties of 4-[1-(1-cyclohexylpropylamino)ethyl]phenol?
4-[1-(1-cyclohexylpropylamino)ethyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-cyclohexylpropylamino)ethyl]phenol is sourced from PubChem (CID 62407507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).