3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine

C15H25NO2 — CID 117382187

IUPAC3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
SMILESCOc1cc(OC)c(C(C)CCN)cc1C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)12-8-13(11(3)6-7-16)15(18-5)9-14(12)17-4/h8-11H,6-7,16H2,1-5H3
InChIKeyPGGRPZBBYWNIDT-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.28
Rot. Bonds6

About 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine

3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine (PubChem CID 117382187) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
PubChem CID117382187
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine
SMILESCOc1cc(OC)c(C(C)CCN)cc1C(C)C
InChIInChI=1S/C15H25NO2/c1-10(2)12-8-13(11(3)6-7-16)15(18-5)9-14(12)17-4/h8-11H,6-7,16H2,1-5H3
InChIKeyPGGRPZBBYWNIDT-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418124
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
3-[5-(difluoromethyl)-2-methoxyphenyl]butan-1-amine
CID 117330475
1-fluoro-5-methoxy-2,4-di(propan-2-yl)benzene
CID 59409851
3-(5-methoxy-1,3-benzoxathiol-6-yl)butan-1-amine
CID 117351535
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 112510134
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
CID 83943624
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine (CID 117382187) is 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine is COc1cc(OC)c(C(C)CCN)cc1C(C)C.
What is the InChIKey of 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine?
The InChIKey is PGGRPZBBYWNIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)12-8-13(11(3)6-7-16)15(18-5)9-14(12)17-4/h8-11H,6-7,16H2,1-5H3.
What are the key properties of 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine?
3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-5-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 117382187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).