3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine

C13H21NO2 — CID 103228142

IUPAC3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine
SMILESCOCC(CN)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)11-4-6-12(7-5-11)16-13(8-14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyGTYMXIGZKGYEEH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds6

About 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine

3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine (PubChem CID 103228142) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine
PubChem CID103228142
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine
SMILESCOCC(CN)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-10(2)11-4-6-12(7-5-11)16-13(8-14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3
InChIKeyGTYMXIGZKGYEEH-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dimethoxypropan-2-yloxy)aniline
CID 129353732
2-(4-chloro-3-fluorophenoxy)-3-methoxypropan-1-amine
CID 103228959
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
4-(1-methoxybutan-2-yloxy)benzenethiol
CID 70906550
(2S)-2-(4-fluorophenoxy)-3-methoxypropan-1-ol
CID 129408269
3-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)propan-1-amine
CID 116835584
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine?
The IUPAC name of 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine (CID 103228142) is 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine is COCC(CN)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine?
The InChIKey is GTYMXIGZKGYEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)11-4-6-12(7-5-11)16-13(8-14)9-15-3/h4-7,10,13H,8-9,14H2,1-3H3.
What are the key properties of 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine?
3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine is sourced from PubChem (CID 103228142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).