2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine

C12H19NO — CID 58172290

IUPAC2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
SMILESCC(C)(C)OC(CN)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,3)14-11(9-13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKeyNVEVLPNPNBRBNQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine

2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine (PubChem CID 58172290) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
PubChem CID58172290
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
SMILESCC(C)(C)OC(CN)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,3)14-11(9-13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3
InChIKeyNVEVLPNPNBRBNQ-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]pyrrolidine
CID 58172305
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 113248979
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020
[1-(3,3-dimethyl-1-phenylbutyl)peroxy-3,3-dimethylbutyl]benzene
CID 149433737
(2-amino-1-phenylethyl) carbamate
CID 57066991
1-[(2R,4R)-2,4-bis[(2-methylpropan-2-yl)oxy]-4-phenylbutyl]sulfanyl-4-methylbenzene
CID 10739780
2-phenyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 55017685
(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine
CID 130254631
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(2-iodophenoxy)-2-phenylethanamine
CID 55017639

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine (CID 58172290) is 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine is CC(C)(C)OC(CN)c1ccccc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine?
The InChIKey is NVEVLPNPNBRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)14-11(9-13)10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine?
2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine is sourced from PubChem (CID 58172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).