[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine

C14H23NO2 — CID 114284718

IUPAC[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OC(C)CC(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)7-11(3)17-13-6-5-12(9-15)8-14(13)16-4/h5-6,8,10-11H,7,9,15H2,1-4H3
InChIKeyRJOYQZRHIZESBS-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.97
Rot. Bonds6

About [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine

[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine (PubChem CID 114284718) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine
PubChem CID114284718
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine
SMILESCOc1cc(CN)ccc1OC(C)CC(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)7-11(3)17-13-6-5-12(9-15)8-14(13)16-4/h5-6,8,10-11H,7,9,15H2,1-4H3
InChIKeyRJOYQZRHIZESBS-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
[4-(aminomethyl)-2-methoxyphenyl] (2S)-2-aminopropanoate
CID 67140266
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
CID 57481807
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
[5-chloro-2-(4-methylpentan-2-yloxy)phenyl]methanamine
CID 62494700
4-[4-(aminomethyl)-2-methoxyphenoxy]-4-oxobutanoic acid
CID 22894239
4-(2-bromo-4-methylpentyl)-1,2-dimethoxybenzene
CID 55148976
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine (CID 114284718) is [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine is COc1cc(CN)ccc1OC(C)CC(C)C.
What is the InChIKey of [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine?
The InChIKey is RJOYQZRHIZESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)7-11(3)17-13-6-5-12(9-15)8-14(13)16-4/h5-6,8,10-11H,7,9,15H2,1-4H3.
What are the key properties of [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine?
[3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine has a molecular weight of 237.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(4-methylpentan-2-yloxy)phenyl]methanamine is sourced from PubChem (CID 114284718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).