3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine

C16H27NO2 — CID 81016741

IUPAC3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(OC)c(C(C)CCNCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-12(2)11-17-9-8-13(3)15-10-14(18-4)6-7-16(15)19-5/h6-7,10,12-13,17H,8-9,11H2,1-5H3
InChIKeyQDWBPUPKIITHMQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.44
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine

3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 81016741) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID81016741
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(OC)c(C(C)CCNCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-12(2)11-17-9-8-13(3)15-10-14(18-4)6-7-16(15)19-5/h6-7,10,12-13,17H,8-9,11H2,1-5H3
InChIKeyQDWBPUPKIITHMQ-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.44
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-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81020042
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 79018777
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
3-(5-chloro-2-methoxyphenyl)-N-ethylbutan-1-amine
CID 81019509
4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-[(Z)-hex-4-en-2-yl]-1,4-dimethoxybenzene
CID 83938264
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
2-(2,5-dimethoxyphenyl)propanal
CID 596766

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine (CID 81016741) is 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine is COc1ccc(OC)c(C(C)CCNCC(C)C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is QDWBPUPKIITHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)11-17-9-8-13(3)15-10-14(18-4)6-7-16(15)19-5/h6-7,10,12-13,17H,8-9,11H2,1-5H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81016741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).