N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine

C17H29NO2 — CID 103228403

IUPACN-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)15-9-7-8-10-16(15)20-14(12-19-6)11-18-17(3,4)5/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyGVCUMKUWAFVIGE-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.59
Rot. Bonds7

About N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine

N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine (PubChem CID 103228403) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
PubChem CID103228403
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)15-9-7-8-10-16(15)20-14(12-19-6)11-18-17(3,4)5/h7-10,13-14,18H,11-12H2,1-6H3
InChIKeyGVCUMKUWAFVIGE-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
N-[3-methoxy-2-(2-prop-2-enylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228645
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
(4R)-N-tert-butyl-4-(2-methoxyphenyl)-2-methylpentan-1-amine
CID 58313669
N-tert-butyl-2-(2-ethoxyphenoxy)pentan-1-amine
CID 83046479
N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 103227736
N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine
CID 62451264
N-[2-[(2-chlorophenyl)methoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103227796
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine (CID 103228403) is N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)Oc1ccccc1C(C)C.
What is the InChIKey of N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is GVCUMKUWAFVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)15-9-7-8-10-16(15)20-14(12-19-6)11-18-17(3,4)5/h7-10,13-14,18H,11-12H2,1-6H3.
What are the key properties of N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine?
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103228403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).