N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine

C15H25NO2 — CID 82262391

IUPACN-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(CC(C)NCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11(2)10-16-12(3)8-13-9-14(17-4)6-7-15(13)18-5/h6-7,9,11-12,16H,8,10H2,1-5H3
InChIKeyKNXJQOXMVFKTIK-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine

N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine (PubChem CID 82262391) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
PubChem CID82262391
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c(CC(C)NCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-11(2)10-16-12(3)8-13-9-14(17-4)6-7-15(13)18-5/h6-7,9,11-12,16H,8,10H2,1-5H3
InChIKeyKNXJQOXMVFKTIK-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethoxyphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82350796
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
3-(2,5-dimethoxyphenyl)-2-methylpropane-1-thiol
CID 83938199
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
CID 91727190
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
CID 146004697
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-iodo-5-methoxyphenyl)propan-2-amine
CID 129362720

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine (CID 82262391) is N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine is COc1ccc(OC)c(CC(C)NCC(C)C)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine?
The InChIKey is KNXJQOXMVFKTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)10-16-12(3)8-13-9-14(17-4)6-7-15(13)18-5/h6-7,9,11-12,16H,8,10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine?
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 82262391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).