2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C14H24N2O — CID 82945293

IUPAC2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CNC(C)CN(C)C)cc1C
InChIInChI=1S/C14H24N2O/c1-11-8-13(6-7-14(11)17-5)9-15-12(2)10-16(3)4/h6-8,12,15H,9-10H2,1-5H3
InChIKeyUYSYLAGPORGOAY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds6

About 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 82945293) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID82945293
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CNC(C)CN(C)C)cc1C
InChIInChI=1S/C14H24N2O/c1-11-8-13(6-7-14(11)17-5)9-15-12(2)10-16(3)4/h6-8,12,15H,9-10H2,1-5H3
InChIKeyUYSYLAGPORGOAY-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944857
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691288
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084850
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
N,N-diethyl-2-[(4-methoxy-3-methylphenyl)methylamino]propanamide
CID 43789807
2-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 107342451
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 82945293) is 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(CNC(C)CN(C)C)cc1C.
What is the InChIKey of 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is UYSYLAGPORGOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-8-13(6-7-14(11)17-5)9-15-12(2)10-16(3)4/h6-8,12,15H,9-10H2,1-5H3.
What are the key properties of 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 82945293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).