(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine

C17H26FNO — CID 63369654

IUPAC(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CC(Oc2ccc([C@@H](C)N)cc2F)CC(C)(C)C1
InChIInChI=1S/C17H26FNO/c1-11-7-14(10-17(3,4)9-11)20-16-6-5-13(12(2)19)8-15(16)18/h5-6,8,11-12,14H,7,9-10,19H2,1-4H3/t11?,12-,14?/m1/s1
InChIKeyDTGVOIYRDDCOFP-MBHSVXNSSA-N
MW279.40 g/mol
LogP4.44
Rot. Bonds3

About (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine

(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 63369654) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID63369654
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CC(Oc2ccc([C@@H](C)N)cc2F)CC(C)(C)C1
InChIInChI=1S/C17H26FNO/c1-11-7-14(10-17(3,4)9-11)20-16-6-5-13(12(2)19)8-15(16)18/h5-6,8,11-12,14H,7,9-10,19H2,1-4H3/t11?,12-,14?/m1/s1
InChIKeyDTGVOIYRDDCOFP-MBHSVXNSSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine 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 (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine (CID 63369654) is (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine is CC1CC(Oc2ccc([C@@H](C)N)cc2F)CC(C)(C)C1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is DTGVOIYRDDCOFP-MBHSVXNSSA-N. The full InChI is InChI=1S/C17H26FNO/c1-11-7-14(10-17(3,4)9-11)20-16-6-5-13(12(2)19)8-15(16)18/h5-6,8,11-12,14H,7,9-10,19H2,1-4H3/t11?,12-,14?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine?
(1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(3,3,5-trimethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 63369654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).