5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol

C18H29NO2 — CID 65089489

IUPAC5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol
SMILESCOc1ccc(NC2CCCC(C(C)(C)C)CC2)cc1O
InChIInChI=1S/C18H29NO2/c1-18(2,3)13-6-5-7-14(9-8-13)19-15-10-11-17(21-4)16(20)12-15/h10-14,19-20H,5-9H2,1-4H3
InChIKeyFBJBOXUAZQSROS-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.81
Rot. Bonds3

About 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol

5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol (PubChem CID 65089489) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol
PubChem CID65089489
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol
SMILESCOc1ccc(NC2CCCC(C(C)(C)C)CC2)cc1O
InChIInChI=1S/C18H29NO2/c1-18(2,3)13-6-5-7-14(9-8-13)19-15-10-11-17(21-4)16(20)12-15/h10-14,19-20H,5-9H2,1-4H3
InChIKeyFBJBOXUAZQSROS-UHFFFAOYSA-N
XLogP4.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
2-methoxy-5-[(1-propylpiperidin-4-yl)amino]phenol
CID 43743683
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 107621247

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol?
The IUPAC name of 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol (CID 65089489) is 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol.
What is the SMILES notation for 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol?
The canonical SMILES for 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol is COc1ccc(NC2CCCC(C(C)(C)C)CC2)cc1O.
What is the InChIKey of 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol?
The InChIKey is FBJBOXUAZQSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)13-6-5-7-14(9-8-13)19-15-10-11-17(21-4)16(20)12-15/h10-14,19-20H,5-9H2,1-4H3.
What are the key properties of 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol?
5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol has a molecular weight of 291.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylcycloheptyl)amino]-2-methoxyphenol is sourced from PubChem (CID 65089489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).