3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine

C15H26N2O — CID 43829974

IUPAC3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
SMILESCOc1cccc(C(N)(C(C)C)C(C)N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-11(2)15(16,12(3)17(4)5)13-8-7-9-14(10-13)18-6/h7-12H,16H2,1-6H3
InChIKeyNDQZMVWRQFGAOZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.46
Rot. Bonds5

About 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine

3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine (PubChem CID 43829974) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
PubChem CID43829974
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
SMILESCOc1cccc(C(N)(C(C)C)C(C)N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-11(2)15(16,12(3)17(4)5)13-8-7-9-14(10-13)18-6/h7-12H,16H2,1-6H3
InChIKeyNDQZMVWRQFGAOZ-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43830152
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
CID 90977706
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
[1-amino-1-(3-methoxyphenyl)ethyl] thiohypofluorite
CID 150215237
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
The IUPAC name of 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine (CID 43829974) is 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
The canonical SMILES for 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine is COc1cccc(C(N)(C(C)C)C(C)N(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
The InChIKey is NDQZMVWRQFGAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)15(16,12(3)17(4)5)13-8-7-9-14(10-13)18-6/h7-12H,16H2,1-6H3.
What are the key properties of 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine?
3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine is sourced from PubChem (CID 43829974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).