2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol

C17H27NO — CID 61466696

IUPAC2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
SMILESCCC1CCC(NC(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C17H27NO/c1-4-14-6-8-15(9-7-14)18-13(3)16-11-12(2)5-10-17(16)19/h5,10-11,13-15,18-19H,4,6-9H2,1-3H3
InChIKeyMYPMSLUIHLRCDP-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds4

About 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol

2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol (PubChem CID 61466696) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
PubChem CID61466696
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol
SMILESCCC1CCC(NC(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C17H27NO/c1-4-14-6-8-15(9-7-14)18-13(3)16-11-12(2)5-10-17(16)19/h5,10-11,13-15,18-19H,4,6-9H2,1-3H3
InChIKeyMYPMSLUIHLRCDP-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
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-[(1,1-dioxothian-4-yl)amino]ethyl]-4-methylphenol
CID 43615113
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 61210661
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
4-methyl-2-[1-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]phenol
CID 103965620
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
CID 60971982
4-methyl-2-[1-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethyl]phenol
CID 62303911
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
5-methyl-2-[1-(thian-4-ylamino)ethyl]phenol
CID 104583138
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethylcyclohexan-1-amine
CID 82774731

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol (CID 61466696) is 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol is CCC1CCC(NC(C)c2cc(C)ccc2O)CC1.
What is the InChIKey of 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol?
The InChIKey is MYPMSLUIHLRCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-6-8-15(9-7-14)18-13(3)16-11-12(2)5-10-17(16)19/h5,10-11,13-15,18-19H,4,6-9H2,1-3H3.
What are the key properties of 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol?
2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol has a molecular weight of 261.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylcyclohexyl)amino]ethyl]-4-methylphenol is sourced from PubChem (CID 61466696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).