2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine

C18H23NO — CID 43100574

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
SMILESCc1ccc(C(C)C)c(OCC(N)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)16-10-9-14(3)11-18(16)20-12-17(19)15-7-5-4-6-8-15/h4-11,13,17H,12,19H2,1-3H3
InChIKeyZULJIMWHOLUQSJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.20
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine

2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine (PubChem CID 43100574) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
PubChem CID43100574
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
SMILESCc1ccc(C(C)C)c(OCC(N)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-13(2)16-10-9-14(3)11-18(16)20-12-17(19)15-7-5-4-6-8-15/h4-11,13,17H,12,19H2,1-3H3
InChIKeyZULJIMWHOLUQSJ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine
CID 63772583
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 51624788
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688609
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 921036
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 4751891

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine (CID 43100574) is 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine is Cc1ccc(C(C)C)c(OCC(N)c2ccccc2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine?
The InChIKey is ZULJIMWHOLUQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)16-10-9-14(3)11-18(16)20-12-17(19)15-7-5-4-6-8-15/h4-11,13,17H,12,19H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine?
2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine is sourced from PubChem (CID 43100574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).