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

C15H26N2O — CID 116501648

IUPAC4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCOCC(C)C(CN)N(C)Cc1cccc(C)c1
InChIInChI=1S/C15H26N2O/c1-12-6-5-7-14(8-12)10-17(3)15(9-16)13(2)11-18-4/h5-8,13,15H,9-11,16H2,1-4H3
InChIKeyIRYBTMZWXBBJCY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds7

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

4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine (PubChem CID 116501648) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
PubChem CID116501648
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
SMILESCOCC(C)C(CN)N(C)Cc1cccc(C)c1
InChIInChI=1S/C15H26N2O/c1-12-6-5-7-14(8-12)10-17(3)15(9-16)13(2)11-18-4/h5-8,13,15H,9-11,16H2,1-4H3
InChIKeyIRYBTMZWXBBJCY-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
2-N-[(3-fluorophenyl)methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225472
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
4-methoxy-3-methyl-1-(3-methylphenyl)butan-2-ol
CID 115625003
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine (CID 116501648) is 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine is COCC(C)C(CN)N(C)Cc1cccc(C)c1.
What is the InChIKey of 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
The InChIKey is IRYBTMZWXBBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-6-5-7-14(8-12)10-17(3)15(9-16)13(2)11-18-4/h5-8,13,15H,9-11,16H2,1-4H3.
What are the key properties of 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine?
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 116501648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).