1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine

C15H25NO3 — CID 116718984

IUPAC1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-7-13(18-4)15(16-2)12-9-8-11(17-3)10-14(12)19-5/h8-10,13,15-16H,6-7H2,1-5H3
InChIKeyYNHJPJWQCMFLHP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds8

About 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine

1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine (PubChem CID 116718984) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
PubChem CID116718984
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
SMILESCCCC(OC)C(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO3/c1-6-7-13(18-4)15(16-2)12-9-8-11(17-3)10-14(12)19-5/h8-10,13,15-16H,6-7H2,1-5H3
InChIKeyYNHJPJWQCMFLHP-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
[1-(2,4-dimethoxyphenyl)-2-ethoxypentyl]hydrazine
CID 105271557
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981296
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
3-amino-1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116957643
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine (CID 116718984) is 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine is CCCC(OC)C(NC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine?
The InChIKey is YNHJPJWQCMFLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-7-13(18-4)15(16-2)12-9-8-11(17-3)10-14(12)19-5/h8-10,13,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine?
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine is sourced from PubChem (CID 116718984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).