2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol

C16H25NO2 — CID 43202473

IUPAC2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC2CCCCCC2)c(O)c1
InChIInChI=1S/C16H25NO2/c1-12(17-13-7-5-3-4-6-8-13)15-10-9-14(19-2)11-16(15)18/h9-13,17-18H,3-8H2,1-2H3
InChIKeyOCISMECFXPSWNB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.77
Rot. Bonds4

About 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol

2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol (PubChem CID 43202473) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
PubChem CID43202473
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NC2CCCCCC2)c(O)c1
InChIInChI=1S/C16H25NO2/c1-12(17-13-7-5-3-4-6-8-13)15-10-9-14(19-2)11-16(15)18/h9-13,17-18H,3-8H2,1-2H3
InChIKeyOCISMECFXPSWNB-UHFFFAOYSA-N
XLogP3.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
5-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]piperidin-2-one
CID 63663146
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
CID 79357914
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methoxyphenol
CID 171261289
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol (CID 43202473) is 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol is COc1ccc(C(C)NC2CCCCCC2)c(O)c1.
What is the InChIKey of 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol?
The InChIKey is OCISMECFXPSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(17-13-7-5-3-4-6-8-13)15-10-9-14(19-2)11-16(15)18/h9-13,17-18H,3-8H2,1-2H3.
What are the key properties of 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol?
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 43202473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).