1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

C14H23NO2 — CID 18711783

IUPAC1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCOc1ccc(CC(N)COC(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-10-12(15)9-11-5-7-13(16-4)8-6-11/h5-8,12H,9-10,15H2,1-4H3
InChIKeyYSCZUDWSMSAQPE-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine

1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (PubChem CID 18711783) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
PubChem CID18711783
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
SMILESCOc1ccc(CC(N)COC(C)(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-10-12(15)9-11-5-7-13(16-4)8-6-11/h5-8,12H,9-10,15H2,1-4H3
InChIKeyYSCZUDWSMSAQPE-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 131875869
(2S)-1-chloro-3-(4-methoxyphenyl)propan-2-amine
CID 89360253
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
CID 105137519
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(2S)-2-amino-3-[4-(4-methoxyphenoxy)phenyl]propan-1-ol;hydrochloride
CID 24815980
1-(3-chloro-4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 103042919
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene
CID 20768954

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine (CID 18711783) is 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is COc1ccc(CC(N)COC(C)(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
The InChIKey is YSCZUDWSMSAQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)17-10-12(15)9-11-5-7-13(16-4)8-6-11/h5-8,12H,9-10,15H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine?
1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine is sourced from PubChem (CID 18711783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).