(2S)-1-(4-methoxyphenoxy)propan-2-amine

C10H15NO2 — CID 7263362

IUPAC(2S)-1-(4-methoxyphenoxy)propan-2-amine
SMILESCOc1ccc(OC[C@H](C)N)cc1
InChIInChI=1S/C10H15NO2/c1-8(11)7-13-10-5-3-9(12-2)4-6-10/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
InChIKeyFCFNBPVBEYMDKC-QMMMGPOBSA-N
MW181.23 g/mol
LogP1.42
Rot. Bonds4

About (2S)-1-(4-methoxyphenoxy)propan-2-amine

(2S)-1-(4-methoxyphenoxy)propan-2-amine (PubChem CID 7263362) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenoxy)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenoxy)propan-2-amine
PubChem CID7263362
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2S)-1-(4-methoxyphenoxy)propan-2-amine
SMILESCOc1ccc(OC[C@H](C)N)cc1
InChIInChI=1S/C10H15NO2/c1-8(11)7-13-10-5-3-9(12-2)4-6-10/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1
InChIKeyFCFNBPVBEYMDKC-QMMMGPOBSA-N
XLogP1.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methoxyphenoxy)propan-2-amine
CID 141019725
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
3-(4-methoxyphenoxy)-2-methylpropanenitrile
CID 43367443
2-fluoro-3-(4-methoxyphenoxy)propan-1-amine
CID 105452034
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[(6-methyl-3-pyridinyl)oxy]propan-2-amine
CID 102689433
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400
1-[1-(4-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021732
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenoxy)propan-2-amine?
The IUPAC name of (2S)-1-(4-methoxyphenoxy)propan-2-amine (CID 7263362) is (2S)-1-(4-methoxyphenoxy)propan-2-amine.
What is the SMILES notation for (2S)-1-(4-methoxyphenoxy)propan-2-amine?
The canonical SMILES for (2S)-1-(4-methoxyphenoxy)propan-2-amine is COc1ccc(OC[C@H](C)N)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenoxy)propan-2-amine?
The InChIKey is FCFNBPVBEYMDKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(11)7-13-10-5-3-9(12-2)4-6-10/h3-6,8H,7,11H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenoxy)propan-2-amine?
(2S)-1-(4-methoxyphenoxy)propan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenoxy)propan-2-amine is sourced from PubChem (CID 7263362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).