[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine

C13H21NO2 — CID 106786198

IUPAC[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
SMILESCOc1cc(COCC(C)C)ccc1CN
InChIInChI=1S/C13H21NO2/c1-10(2)8-16-9-11-4-5-12(7-14)13(6-11)15-3/h4-6,10H,7-9,14H2,1-3H3
InChIKeySYHROEWRMXMVAS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds6

About [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine

[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine (PubChem CID 106786198) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
PubChem CID106786198
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
SMILESCOc1cc(COCC(C)C)ccc1CN
InChIInChI=1S/C13H21NO2/c1-10(2)8-16-9-11-4-5-12(7-14)13(6-11)15-3/h4-6,10H,7-9,14H2,1-3H3
InChIKeySYHROEWRMXMVAS-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
CID 106786215
[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 106786393
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
[3-bromo-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 102772379
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine (CID 106786198) is [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine is COc1cc(COCC(C)C)ccc1CN.
What is the InChIKey of [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine?
The InChIKey is SYHROEWRMXMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)8-16-9-11-4-5-12(7-14)13(6-11)15-3/h4-6,10H,7-9,14H2,1-3H3.
What are the key properties of [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine?
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine is sourced from PubChem (CID 106786198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).