3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine

C14H23NO2 — CID 116811061

IUPAC3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1cccc(OC)c1CCCNC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)15-10-6-7-12-13(16-3)8-5-9-14(12)17-4/h5,8-9,11,15H,6-7,10H2,1-4H3
InChIKeyBNWKAFFFXMQZOJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.63
Rot. Bonds7

About 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine

3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 116811061) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID116811061
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
SMILESCOc1cccc(OC)c1CCCNC(C)C
InChIInChI=1S/C14H23NO2/c1-11(2)15-10-6-7-12-13(16-3)8-5-9-14(12)17-4/h5,8-9,11,15H,6-7,10H2,1-4H3
InChIKeyBNWKAFFFXMQZOJ-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[3-(propan-2-ylamino)propyl]benzamide
CID 141361888
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
2-butyl-1,3-dimethoxybenzene
CID 524840
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
3-(4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 65315961
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 103293007
2-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 116811010
N-[(7-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335563

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine (CID 116811061) is 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine is COc1cccc(OC)c1CCCNC(C)C.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is BNWKAFFFXMQZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)15-10-6-7-12-13(16-3)8-5-9-14(12)17-4/h5,8-9,11,15H,6-7,10H2,1-4H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine?
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 116811061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).