2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol

C18H29NO — CID 114331599

IUPAC2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
SMILESCC(C)(C)C1CCC(CNCc2ccccc2O)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-10-8-14(9-11-16)12-19-13-15-6-4-5-7-17(15)20/h4-7,14,16,19-20H,8-13H2,1-3H3
InChIKeyLORLVKNFEKHZTD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds4

About 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol

2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol (PubChem CID 114331599) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
PubChem CID114331599
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol
SMILESCC(C)(C)C1CCC(CNCc2ccccc2O)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-10-8-14(9-11-16)12-19-13-15-6-4-5-7-17(15)20/h4-7,14,16,19-20H,8-13H2,1-3H3
InChIKeyLORLVKNFEKHZTD-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.33
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-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
1-(4-tert-butylcyclohexyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 104575269
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
CID 106703472
3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881
1-(4-tert-butylpiperidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78967459
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
2-bromo-N-[(4-tert-butylcyclohexyl)methyl]aniline
CID 104574749
N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451692
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849959
5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
CID 107700302

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol (CID 114331599) is 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol is CC(C)(C)C1CCC(CNCc2ccccc2O)CC1.
What is the InChIKey of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol?
The InChIKey is LORLVKNFEKHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)16-10-8-14(9-11-16)12-19-13-15-6-4-5-7-17(15)20/h4-7,14,16,19-20H,8-13H2,1-3H3.
What are the key properties of 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol?
2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-tert-butylcyclohexyl)methylamino]methyl]phenol is sourced from PubChem (CID 114331599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).