2-(4-methyl-3-propan-2-ylphenoxy)ethanamine

C12H19NO — CID 146289761

IUPAC2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
SMILESCc1ccc(OCCN)cc1C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)12-8-11(14-7-6-13)5-4-10(12)3/h4-5,8-9H,6-7,13H2,1-3H3
InChIKeyXGFWSPUUWWGHCW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine

2-(4-methyl-3-propan-2-ylphenoxy)ethanamine (PubChem CID 146289761) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
PubChem CID146289761
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
SMILESCc1ccc(OCCN)cc1C(C)C
InChIInChI=1S/C12H19NO/c1-9(2)12-8-11(14-7-6-13)5-4-10(12)3/h4-5,8-9H,6-7,13H2,1-3H3
InChIKeyXGFWSPUUWWGHCW-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethoxy)-2-methylaniline
CID 15870804
2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
N'-methyl-N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62688459
methyl 2-[5-(2-aminoethoxy)-2-propan-2-ylphenyl]acetate
CID 142778470
N'-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine;oxalic acid
CID 2922383
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine
CID 82054124
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
N-tert-butyl-5-(3-methyl-4-propan-2-ylphenoxy)pentan-1-amine
CID 63498749

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine (CID 146289761) is 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine is Cc1ccc(OCCN)cc1C(C)C.
What is the InChIKey of 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine?
The InChIKey is XGFWSPUUWWGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)12-8-11(14-7-6-13)5-4-10(12)3/h4-5,8-9H,6-7,13H2,1-3H3.
What are the key properties of 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine?
2-(4-methyl-3-propan-2-ylphenoxy)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 146289761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).