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

C14H23NO3 — CID 117386623

IUPAC2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(OC)cc1OC(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)18-13-8-11(16-5)10(14(3,4)15)7-12(13)17-6/h7-9H,15H2,1-6H3
InChIKeyDDFFGWJJLATUNJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.68
Rot. Bonds5

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

2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine (PubChem CID 117386623) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
PubChem CID117386623
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine
SMILESCOc1cc(C(C)(C)N)c(OC)cc1OC(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)18-13-8-11(16-5)10(14(3,4)15)7-12(13)17-6/h7-9H,15H2,1-6H3
InChIKeyDDFFGWJJLATUNJ-UHFFFAOYSA-N
XLogP2.68
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
2-(2-bromo-4,5-dimethoxyphenyl)propan-2-amine
CID 117437704
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-ol
CID 117400657
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105
1,2-diiodo-4-methoxy-5-propan-2-yloxybenzene
CID 11189277
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
CID 117381647
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117319995
4-methoxy-3-propan-2-yloxyaniline
CID 16785912

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine (CID 117386623) is 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine is COc1cc(C(C)(C)N)c(OC)cc1OC(C)C.
What is the InChIKey of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine?
The InChIKey is DDFFGWJJLATUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)18-13-8-11(16-5)10(14(3,4)15)7-12(13)17-6/h7-9H,15H2,1-6H3.
What are the key properties of 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine?
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 117386623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).