1-(2-tert-butylphenyl)-N-ethylethanamine

C14H23N — CID 115765369

IUPAC1-(2-tert-butylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H23N/c1-6-15-11(2)12-9-7-8-10-13(12)14(3,4)5/h7-11,15H,6H2,1-5H3
InChIKeyAGPLKVRGJCRFDV-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.65
Rot. Bonds3

About 1-(2-tert-butylphenyl)-N-ethylethanamine

1-(2-tert-butylphenyl)-N-ethylethanamine (PubChem CID 115765369) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-ethylethanamine
PubChem CID115765369
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2-tert-butylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H23N/c1-6-15-11(2)12-9-7-8-10-13(12)14(3,4)5/h7-11,15H,6H2,1-5H3
InChIKeyAGPLKVRGJCRFDV-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-tert-butylphenyl)-N-ethylethanamine 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

N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
CID 60885151
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
1-(2-tert-butylphenyl)-N-propylpentan-1-amine
CID 115832932
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-ethylethanamine (CID 115765369) is 1-(2-tert-butylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-ethylethanamine is CCNC(C)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-ethylethanamine?
The InChIKey is AGPLKVRGJCRFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-6-15-11(2)12-9-7-8-10-13(12)14(3,4)5/h7-11,15H,6H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-ethylethanamine?
1-(2-tert-butylphenyl)-N-ethylethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115765369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).