1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine

C16H27NO3 — CID 62103493

IUPAC1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
SMILESCCC(C)COc1c(OC)cc(CC(C)N)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-11(2)10-20-16-14(18-4)8-13(7-12(3)17)9-15(16)19-5/h8-9,11-12H,6-7,10,17H2,1-5H3
InChIKeyAQDYNOQMYZXVLA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.02
Rot. Bonds8

About 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine

1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine (PubChem CID 62103493) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
PubChem CID62103493
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
SMILESCCC(C)COc1c(OC)cc(CC(C)N)cc1OC
InChIInChI=1S/C16H27NO3/c1-6-11(2)10-20-16-14(18-4)8-13(7-12(3)17)9-15(16)19-5/h8-9,11-12H,6-7,10,17H2,1-5H3
InChIKeyAQDYNOQMYZXVLA-UHFFFAOYSA-N
XLogP3.02
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 62104186
N-[[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 62104364
1-[4-[2-(dimethylamino)ethoxy]-3,5-dimethoxyphenyl]propan-2-amine
CID 60907775
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-(3,5-dimethoxy-4-methylphenyl)propan-2-amine;hydrochloride
CID 168891432
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
CID 64660777
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanamide
CID 62901223

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine (CID 62103493) is 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine is CCC(C)COc1c(OC)cc(CC(C)N)cc1OC.
What is the InChIKey of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
The InChIKey is AQDYNOQMYZXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-11(2)10-20-16-14(18-4)8-13(7-12(3)17)9-15(16)19-5/h8-9,11-12H,6-7,10,17H2,1-5H3.
What are the key properties of 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine?
1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62103493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).