5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol

C18H29NO — CID 107700302

IUPAC5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
SMILESCc1ccc(NCC2CCC(C(C)(C)C)CC2)cc1O
InChIInChI=1S/C18H29NO/c1-13-5-10-16(11-17(13)20)19-12-14-6-8-15(9-7-14)18(2,3)4/h5,10-11,14-15,19-20H,6-9,12H2,1-4H3
InChIKeyAAARTEZBJUVTKD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.97
Rot. Bonds3

About 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol

5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol (PubChem CID 107700302) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
PubChem CID107700302
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
SMILESCc1ccc(NCC2CCC(C(C)(C)C)CC2)cc1O
InChIInChI=1S/C18H29NO/c1-13-5-10-16(11-17(13)20)19-12-14-6-8-15(9-7-14)18(2,3)4/h5,10-11,14-15,19-20H,6-9,12H2,1-4H3
InChIKeyAAARTEZBJUVTKD-UHFFFAOYSA-N
XLogP4.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cycloheptylmethylamino)-2-methylphenol
CID 107699720
N-[(4-tert-butylcyclohexyl)methyl]-3-iodo-4-methylaniline
CID 104574906
2-methyl-5-(thiolan-3-ylmethylamino)phenol
CID 107700911
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-[(4-tert-butylcyclohexyl)methyl]-3,5-difluoroaniline
CID 104574770
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
CID 114331599
N-[(4-tert-butylcyclohexyl)methyl]-2,6-difluoro-3-methylaniline
CID 104575271
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
3-[(4-tert-butylcyclohexyl)methylamino]-4-methylbenzonitrile
CID 104575046
2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
tert-butyl 2-[(3-hydroxy-4-methylanilino)methyl]pyrrolidine-1-carboxylate
CID 107700259

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol?
The IUPAC name of 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol (CID 107700302) is 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol.
What is the SMILES notation for 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol?
The canonical SMILES for 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol is Cc1ccc(NCC2CCC(C(C)(C)C)CC2)cc1O.
What is the InChIKey of 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol?
The InChIKey is AAARTEZBJUVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-5-10-16(11-17(13)20)19-12-14-6-8-15(9-7-14)18(2,3)4/h5,10-11,14-15,19-20H,6-9,12H2,1-4H3.
What are the key properties of 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol?
5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol has a molecular weight of 275.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol is sourced from PubChem (CID 107700302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).