(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine

C18H29NO — CID 63473711

IUPAC(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)(OCc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-17(2,3)16-9-11-18(14-19,12-10-16)20-13-15-7-5-4-6-8-15/h4-8,16H,9-14,19H2,1-3H3
InChIKeyMUPNVVNGDZQHJN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.14
Rot. Bonds4

About (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine

(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine (PubChem CID 63473711) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
PubChem CID63473711
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)(OCc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-17(2,3)16-9-11-18(14-19,12-10-16)20-13-15-7-5-4-6-8-15/h4-8,16H,9-14,19H2,1-3H3
InChIKeyMUPNVVNGDZQHJN-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine (CID 63473711) is (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine is CC(C)(C)C1CCC(CN)(OCc2ccccc2)CC1.
What is the InChIKey of (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine?
The InChIKey is MUPNVVNGDZQHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)16-9-11-18(14-19,12-10-16)20-13-15-7-5-4-6-8-15/h4-8,16H,9-14,19H2,1-3H3.
What are the key properties of (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine?
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine is sourced from PubChem (CID 63473711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).