N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine

C15H25NO2 — CID 54949454

IUPACN-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1cccc(OC)c1OC
InChIInChI=1S/C15H25NO2/c1-6-11(2)12(3)16-10-13-8-7-9-14(17-4)15(13)18-5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyYWCYRWNNBQUJQX-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine

N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine (PubChem CID 54949454) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
PubChem CID54949454
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NCc1cccc(OC)c1OC
InChIInChI=1S/C15H25NO2/c1-6-11(2)12(3)16-10-13-8-7-9-14(17-4)15(13)18-5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyYWCYRWNNBQUJQX-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463338
methyl 2-[(2,3-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 43732350
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethylpentan-2-amine
CID 63842094
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
3-ethyl-N-[(2,3,4-trimethoxyphenyl)methyl]pentan-2-amine
CID 63842268
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899869
N-[(2,3-dimethoxyphenyl)methyl]hex-5-yn-3-amine
CID 115654900
1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
CID 111478472
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine (CID 54949454) is N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine is CCC(C)C(C)NCc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
The InChIKey is YWCYRWNNBQUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-11(2)12(3)16-10-13-8-7-9-14(17-4)15(13)18-5/h7-9,11-12,16H,6,10H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine is sourced from PubChem (CID 54949454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).