1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine

C15H26N2O3 — CID 60907775

IUPAC1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1OCCN(C)C
InChIInChI=1S/C15H26N2O3/c1-11(16)8-12-9-13(18-4)15(14(10-12)19-5)20-7-6-17(2)3/h9-11H,6-8,16H2,1-5H3
InChIKeyLKEZVAMUCUECOP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.53
Rot. Bonds8

About 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine

1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine (PubChem CID 60907775) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
PubChem CID60907775
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)cc(OC)c1OCCN(C)C
InChIInChI=1S/C15H26N2O3/c1-11(16)8-12-9-13(18-4)15(14(10-12)19-5)20-7-6-17(2)3/h9-11H,6-8,16H2,1-5H3
InChIKeyLKEZVAMUCUECOP-UHFFFAOYSA-N
XLogP1.53
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]propan-2-amine
CID 65364643
1-[3-chloro-4-[2-(diethylamino)ethoxy]-5-methoxyphenyl]propan-2-amine
CID 60907302
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62103493
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]propan-2-amine
CID 81113782
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
1-(3-bromo-4-but-3-ynoxy-5-methoxyphenyl)propan-2-amine
CID 55028065
4-[4-(2-aminopropyl)-2-chloro-6-methoxyphenoxy]butanenitrile
CID 54930832
1-(3,4-dimethoxy-5-methylphosphanyloxyphenyl)propan-2-amine
CID 168931516

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine?
The IUPAC name of 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine (CID 60907775) is 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine is COc1cc(CC(C)N)cc(OC)c1OCCN(C)C.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine?
The InChIKey is LKEZVAMUCUECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(16)8-12-9-13(18-4)15(14(10-12)19-5)20-7-6-17(2)3/h9-11H,6-8,16H2,1-5H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine?
1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine is sourced from PubChem (CID 60907775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).