[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine

C15H25NO3 — CID 106665154

IUPAC[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1COCCC(C)(C)OC
InChIInChI=1S/C15H25NO3/c1-15(2,18-4)7-8-19-11-13-9-12(10-16)5-6-14(13)17-3/h5-6,9H,7-8,10-11,16H2,1-4H3
InChIKeyKYKNCKFSCRQBSU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.49
Rot. Bonds8

About [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine

[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine (PubChem CID 106665154) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine
PubChem CID106665154
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(CN)cc1COCCC(C)(C)OC
InChIInChI=1S/C15H25NO3/c1-15(2,18-4)7-8-19-11-13-9-12(10-16)5-6-14(13)17-3/h5-6,9H,7-8,10-11,16H2,1-4H3
InChIKeyKYKNCKFSCRQBSU-UHFFFAOYSA-N
XLogP2.49
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-methoxy-2-[(3-methoxy-3-methylbutoxy)methyl]benzene
CID 106666445
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanol
CID 106666594
[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 62018202
1-[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]-N-methylethanamine
CID 106665328
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
[2-[(3-methoxy-3-methylbutoxy)methyl]furan-3-yl]methanamine
CID 106667874
N-[[4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]propan-2-amine
CID 107458042
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine (CID 106665154) is [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine is COc1ccc(CN)cc1COCCC(C)(C)OC.
What is the InChIKey of [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine?
The InChIKey is KYKNCKFSCRQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,18-4)7-8-19-11-13-9-12(10-16)5-6-14(13)17-3/h5-6,9H,7-8,10-11,16H2,1-4H3.
What are the key properties of [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine?
[4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 106665154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).