1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine

C17H29NO3 — CID 135313299

IUPAC1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
SMILESCOCCCOc1cc(CC(C)(N)C(C)C)ccc1OC
InChIInChI=1S/C17H29NO3/c1-13(2)17(3,18)12-14-7-8-15(20-5)16(11-14)21-10-6-9-19-4/h7-8,11,13H,6,9-10,12,18H2,1-5H3
InChIKeyDQCIKKGZDMKKAC-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.03
Rot. Bonds9

About 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine

1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine (PubChem CID 135313299) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
PubChem CID135313299
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
SMILESCOCCCOc1cc(CC(C)(N)C(C)C)ccc1OC
InChIInChI=1S/C17H29NO3/c1-13(2)17(3,18)12-14-7-8-15(20-5)16(11-14)21-10-6-9-19-4/h7-8,11,13H,6,9-10,12,18H2,1-5H3
InChIKeyDQCIKKGZDMKKAC-UHFFFAOYSA-N
XLogP3.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.03
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

4-[4-methoxy-3-(3-methoxypropoxy)phenyl]butan-2-amine
CID 118279248
1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
CID 107892398
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
3-hydroxy-1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-one
CID 121301650
tert-butyl 2-amino-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methylhexanoate
CID 68775665
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
CID 11325823
[1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3,3-dimethylbutan-2-yl]urea
CID 123390795
1-(3,4-dimethoxyphenyl)-5-methoxy-2-methylpentan-2-ol
CID 114852238
8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyloctanamide
CID 141057465
ethane;methyl 3-amino-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]butanoate
CID 145356356
(2R)-8-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2-methyl-2-propyloctanamide
CID 141057475
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine?
The IUPAC name of 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine (CID 135313299) is 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine is COCCCOc1cc(CC(C)(N)C(C)C)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine?
The InChIKey is DQCIKKGZDMKKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)17(3,18)12-14-7-8-15(20-5)16(11-14)21-10-6-9-19-4/h7-8,11,13H,6,9-10,12,18H2,1-5H3.
What are the key properties of 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine?
1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 135313299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).