2-(3-tert-butylphenoxy)-1-phenylethanamine

C18H23NO — CID 43351796

IUPAC2-(3-tert-butylphenoxy)-1-phenylethanamine
SMILESCC(C)(C)c1cccc(OCC(N)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)15-10-7-11-16(12-15)20-13-17(19)14-8-5-4-6-9-14/h4-12,17H,13,19H2,1-3H3
InChIKeyIKLSSKJVMPIKHT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.06
Rot. Bonds4

About 2-(3-tert-butylphenoxy)-1-phenylethanamine

2-(3-tert-butylphenoxy)-1-phenylethanamine (PubChem CID 43351796) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-1-phenylethanamine
PubChem CID43351796
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(3-tert-butylphenoxy)-1-phenylethanamine
SMILESCC(C)(C)c1cccc(OCC(N)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-18(2,3)15-10-7-11-16(12-15)20-13-17(19)14-8-5-4-6-9-14/h4-12,17H,13,19H2,1-3H3
InChIKeyIKLSSKJVMPIKHT-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-tert-butylphenoxy)-1-phenylethanamine 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-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
1-(3-tert-butylphenoxy)-3,3-dimethylbutan-2-amine
CID 43351797
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
4-(3-tert-butylphenoxy)-1-(4-fluorophenyl)butan-1-amine
CID 10313625
1-tert-butyl-3-(2-fluoro-3,3-dimethylbutoxy)benzene
CID 170651711
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(3-tert-butylphenoxy)-1-phenylethanamine (CID 43351796) is 2-(3-tert-butylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(3-tert-butylphenoxy)-1-phenylethanamine is CC(C)(C)c1cccc(OCC(N)c2ccccc2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-1-phenylethanamine?
The InChIKey is IKLSSKJVMPIKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,3)15-10-7-11-16(12-15)20-13-17(19)14-8-5-4-6-9-14/h4-12,17H,13,19H2,1-3H3.
What are the key properties of 2-(3-tert-butylphenoxy)-1-phenylethanamine?
2-(3-tert-butylphenoxy)-1-phenylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-1-phenylethanamine is sourced from PubChem (CID 43351796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).