1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine

C18H29NO — CID 117441204

IUPAC1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccccc1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19-20-4/h5-8,14,16,19H,9-13H2,1-4H3
InChIKeyDBJUOUNZQBVSJJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.66
Rot. Bonds4

About 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine

1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine (PubChem CID 117441204) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
PubChem CID117441204
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
SMILESCONCc1ccccc1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19-20-4/h5-8,14,16,19H,9-13H2,1-4H3
InChIKeyDBJUOUNZQBVSJJ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(2-piperidin-4-ylphenyl)methanamine
CID 117314747
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
CID 79889215
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
CID 117487407
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine (CID 117441204) is 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine is CONCc1ccccc1C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine?
The InChIKey is DBJUOUNZQBVSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19-20-4/h5-8,14,16,19H,9-13H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine?
1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine is sourced from PubChem (CID 117441204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).