[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine

C14H23NO3 — CID 112587988

IUPAC[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-8-7-17-13-9-11(10-15)5-6-12(13)16-4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyKKAHOTIQHRLWMY-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.35
Rot. Bonds6

About [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine

[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine (PubChem CID 112587988) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
PubChem CID112587988
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCCOC(C)(C)C
InChIInChI=1S/C14H23NO3/c1-14(2,3)18-8-7-17-13-9-11(10-15)5-6-12(13)16-4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyKKAHOTIQHRLWMY-UHFFFAOYSA-N
XLogP2.35
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.35
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-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 20989786
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-nitrophenyl]methanamine
CID 112588168
[4-methoxy-3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22687113
[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20987904
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine (CID 112587988) is [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine is COc1ccc(CN)cc1OCCOC(C)(C)C.
What is the InChIKey of [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
The InChIKey is KKAHOTIQHRLWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,3)18-8-7-17-13-9-11(10-15)5-6-12(13)16-4/h5-6,9H,7-8,10,15H2,1-4H3.
What are the key properties of [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine?
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 112587988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).