2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine

C22H31NO — CID 83975069

IUPAC2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccccc1CC(CN)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C22H31NO/c1-6-24-21-10-8-7-9-17(21)13-18(15-23)20-14-19(22(3,4)5)12-11-16(20)2/h7-12,14,18H,6,13,15,23H2,1-5H3
InChIKeyAKMXOLCEJBWHEE-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.98
Rot. Bonds6

About 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine

2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine (PubChem CID 83975069) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
PubChem CID83975069
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine
SMILESCCOc1ccccc1CC(CN)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C22H31NO/c1-6-24-21-10-8-7-9-17(21)13-18(15-23)20-14-19(22(3,4)5)12-11-16(20)2/h7-12,14,18H,6,13,15,23H2,1-5H3
InChIKeyAKMXOLCEJBWHEE-UHFFFAOYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83974993
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
2-(5-tert-butyl-2-methoxyphenyl)-3-naphthalen-1-ylpropan-1-amine
CID 112539017
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
2-(5-tert-butyl-2-ethoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 83974992
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974368
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine (CID 83975069) is 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine is CCOc1ccccc1CC(CN)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine?
The InChIKey is AKMXOLCEJBWHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-6-24-21-10-8-7-9-17(21)13-18(15-23)20-14-19(22(3,4)5)12-11-16(20)2/h7-12,14,18H,6,13,15,23H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine?
2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine has a molecular weight of 325.50 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methylphenyl)-3-(2-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83975069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).