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

C15H25NO3 — CID 117422151

IUPAC4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
SMILESCOc1cc(OC(C)C)c(OC)cc1CCCCN
InChIInChI=1S/C15H25NO3/c1-11(2)19-15-10-13(17-3)12(7-5-6-8-16)9-14(15)18-4/h9-11H,5-8,16H2,1-4H3
InChIKeyMOTAHCYRCASTPS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.77
Rot. Bonds8

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

4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 117422151) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID117422151
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
SMILESCOc1cc(OC(C)C)c(OC)cc1CCCCN
InChIInChI=1S/C15H25NO3/c1-11(2)19-15-10-13(17-3)12(7-5-6-8-16)9-14(15)18-4/h9-11H,5-8,16H2,1-4H3
InChIKeyMOTAHCYRCASTPS-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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

3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
4-(2,5-dimethoxy-4-methylsulfonylphenyl)butan-1-amine
CID 117463945
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propan-1-amine
CID 117355470
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
1-(isocyanatomethyl)-2,5-dimethoxy-4-propan-2-yloxybenzene
CID 117380860
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
4-(5-methoxy-2-methyl-1H-indol-6-yl)butan-1-amine
CID 117336849

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine (CID 117422151) is 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine is COc1cc(OC(C)C)c(OC)cc1CCCCN.
What is the InChIKey of 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is MOTAHCYRCASTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)19-15-10-13(17-3)12(7-5-6-8-16)9-14(15)18-4/h9-11H,5-8,16H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine?
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 117422151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).