1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine

C17H29NO3 — CID 115713699

IUPAC1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCOCC(C)C)cc1OC
InChIInChI=1S/C17H29NO3/c1-13(2)12-21-9-8-18-14(3)10-15-6-7-16(19-4)17(11-15)20-5/h6-7,11,13-14,18H,8-10,12H2,1-5H3
InChIKeyMKMPNNALAVUWSR-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.90
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine

1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine (PubChem CID 115713699) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
PubChem CID115713699
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCOCC(C)C)cc1OC
InChIInChI=1S/C17H29NO3/c1-13(2)12-21-9-8-18-14(3)10-15-6-7-16(19-4)17(11-15)20-5/h6-7,11,13-14,18H,8-10,12H2,1-5H3
InChIKeyMKMPNNALAVUWSR-UHFFFAOYSA-N
XLogP2.90
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.90
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

1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 43201516
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 63225927
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
CID 115720737
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
CID 65047306
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 119164926
N-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine (CID 115713699) is 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine is COc1ccc(CC(C)NCCOCC(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
The InChIKey is MKMPNNALAVUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)12-21-9-8-18-14(3)10-15-6-7-16(19-4)17(11-15)20-5/h6-7,11,13-14,18H,8-10,12H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine?
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 115713699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).