[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine

C13H21NO2 — CID 43471421

IUPAC[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCC(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,10H,7-9,14H2,1-3H3
InChIKeyDSLSICPCTXOBRR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.58
Rot. Bonds6

About [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine

[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine (PubChem CID 43471421) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
PubChem CID43471421
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
SMILESCOc1cccc(CN)c1OCCC(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,10H,7-9,14H2,1-3H3
InChIKeyDSLSICPCTXOBRR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
3-[4-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]piperazin-1-yl]propan-1-amine
CID 54855901
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
1-ethyl-2,3-bis(3-methylbutoxy)benzene
CID 91472485
[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
CID 168529237
(2-butan-2-yloxy-3-methoxyphenyl)methanamine
CID 43471450
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848699
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine (CID 43471421) is [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine is COc1cccc(CN)c1OCCC(C)C.
What is the InChIKey of [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine?
The InChIKey is DSLSICPCTXOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,10H,7-9,14H2,1-3H3.
What are the key properties of [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine?
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(3-methylbutoxy)phenyl]methanamine is sourced from PubChem (CID 43471421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).