1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine

C19H33NO — CID 63475997

IUPAC1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
SMILESCCCCCCOCC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-7-8-9-14-21-15-18(20-5)16-10-12-17(13-11-16)19(2,3)4/h10-13,18,20H,6-9,14-15H2,1-5H3
InChIKeyXSIBKKKLOPALGX-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.84
Rot. Bonds9

About 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine

1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine (PubChem CID 63475997) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
PubChem CID63475997
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
SMILESCCCCCCOCC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-7-8-9-14-21-15-18(20-5)16-10-12-17(13-11-16)19(2,3)4/h10-13,18,20H,6-9,14-15H2,1-5H3
InChIKeyXSIBKKKLOPALGX-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylethanamine
CID 66234501
1-(4-ethylphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788200
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
(3R)-4-hexoxy-1-N,1-N',3-trimethylbutane-1,1-diamine
CID 118465726
[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine (CID 63475997) is 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine is CCCCCCOCC(NC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine?
The InChIKey is XSIBKKKLOPALGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-7-8-9-14-21-15-18(20-5)16-10-12-17(13-11-16)19(2,3)4/h10-13,18,20H,6-9,14-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine?
1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine is sourced from PubChem (CID 63475997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).