3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine

C14H23NO2 — CID 112510134

IUPAC3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
SMILESCOc1ccc(C(CCN)OC)cc1C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)12-9-11(5-6-14(12)17-4)13(16-3)7-8-15/h5-6,9-10,13H,7-8,15H2,1-4H3
InChIKeyVSRDIEOXTCWZDZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.85
Rot. Bonds6

About 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine

3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine (PubChem CID 112510134) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
PubChem CID112510134
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
SMILESCOc1ccc(C(CCN)OC)cc1C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)12-9-11(5-6-14(12)17-4)13(16-3)7-8-15/h5-6,9-10,13H,7-8,15H2,1-4H3
InChIKeyVSRDIEOXTCWZDZ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
1-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934464
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
3-(4-methoxy-3-propan-2-ylphenyl)butane-1-thiol
CID 83926790
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
4-(3-amino-1-methoxypropyl)benzene-1,2-diol
CID 83831333
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253
2-amino-1-(2-methoxy-5-propan-2-ylphenyl)ethanethiol
CID 116868593
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
CID 117382187

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine (CID 112510134) is 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine is COc1ccc(C(CCN)OC)cc1C(C)C.
What is the InChIKey of 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine?
The InChIKey is VSRDIEOXTCWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)12-9-11(5-6-14(12)17-4)13(16-3)7-8-15/h5-6,9-10,13H,7-8,15H2,1-4H3.
What are the key properties of 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine?
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 112510134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).