2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol

C19H31NO — CID 43673859

IUPAC2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NC2CCCCC2C(C)(C)C)c(O)c1
InChIInChI=1S/C19H31NO/c1-13-10-11-15(18(21)12-13)14(2)20-17-9-7-6-8-16(17)19(3,4)5/h10-12,14,16-17,20-21H,6-9H2,1-5H3
InChIKeyYZBMXCRDIRBUCS-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.96
Rot. Bonds3

About 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol

2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol (PubChem CID 43673859) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol
PubChem CID43673859
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol
SMILESCc1ccc(C(C)NC2CCCCC2C(C)(C)C)c(O)c1
InChIInChI=1S/C19H31NO/c1-13-10-11-15(18(21)12-13)14(2)20-17-9-7-6-8-16(17)19(3,4)5/h10-12,14,16-17,20-21H,6-9H2,1-5H3
InChIKeyYZBMXCRDIRBUCS-UHFFFAOYSA-N
XLogP4.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.96
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-[(2,3-dimethylcyclopentyl)amino]ethyl]-5-methylphenol
CID 64907793
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
5-methyl-2-[1-(thian-4-ylamino)ethyl]phenol
CID 104583138
5-methyl-2-[1-(thian-3-ylamino)ethyl]phenol
CID 113429398
2-tert-butyl-N-[1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43079642
2-tert-butyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81389693
2-tert-butyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexan-1-amine
CID 43673911
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol (CID 43673859) is 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol is Cc1ccc(C(C)NC2CCCCC2C(C)(C)C)c(O)c1.
What is the InChIKey of 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol?
The InChIKey is YZBMXCRDIRBUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-10-11-15(18(21)12-13)14(2)20-17-9-7-6-8-16(17)19(3,4)5/h10-12,14,16-17,20-21H,6-9H2,1-5H3.
What are the key properties of 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol?
2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol has a molecular weight of 289.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-tert-butylcyclohexyl)amino]ethyl]-5-methylphenol is sourced from PubChem (CID 43673859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).