2-[1-[cyclohexyl(ethyl)amino]propyl]phenol

C17H27NO — CID 82974115

IUPAC2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(CC)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-16(15-12-8-9-13-17(15)19)18(4-2)14-10-6-5-7-11-14/h8-9,12-14,16,19H,3-7,10-11H2,1-2H3
InChIKeyUJQPPIMHXOLNKO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.50
Rot. Bonds5

About 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol

2-[1-[cyclohexyl(ethyl)amino]propyl]phenol (PubChem CID 82974115) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
PubChem CID82974115
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
SMILESCCC(c1ccccc1O)N(CC)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-16(15-12-8-9-13-17(15)19)18(4-2)14-10-6-5-7-11-14/h8-9,12-14,16,19H,3-7,10-11H2,1-2H3
InChIKeyUJQPPIMHXOLNKO-UHFFFAOYSA-N
XLogP4.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[cyclohexyl(methyl)amino]propyl]phenol
CID 82974252
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]propyl]phenol
CID 82983229
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
2-[[cycloheptyl(propan-2-yl)amino]methyl]phenol
CID 158739786
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 43540885
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
CID 43180409
2-[1-[2-(dimethylamino)ethyl-methylamino]propyl]phenol
CID 82980424
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
5-[1-[cyclohexyl(ethyl)amino]ethyl]benzene-1,3-diol
CID 107707910

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol?
The IUPAC name of 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol (CID 82974115) is 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol.
What is the SMILES notation for 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol?
The canonical SMILES for 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol is CCC(c1ccccc1O)N(CC)C1CCCCC1.
What is the InChIKey of 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol?
The InChIKey is UJQPPIMHXOLNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-16(15-12-8-9-13-17(15)19)18(4-2)14-10-6-5-7-11-14/h8-9,12-14,16,19H,3-7,10-11H2,1-2H3.
What are the key properties of 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol?
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol has a molecular weight of 261.41 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclohexyl(ethyl)amino]propyl]phenol is sourced from PubChem (CID 82974115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).