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

C14H24N2O — CID 115135992

IUPAC1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)N)cc1C
InChIInChI=1S/C14H24N2O/c1-11-8-12(6-7-13(11)17-5)9-16(4)10-14(2,3)15/h6-8H,9-10,15H2,1-5H3
InChIKeyLJDBNQOCBDYVNR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds5

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

1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115135992) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115135992
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)N)cc1C
InChIInChI=1S/C14H24N2O/c1-11-8-12(6-7-13(11)17-5)9-16(4)10-14(2,3)15/h6-8H,9-10,15H2,1-5H3
InChIKeyLJDBNQOCBDYVNR-UHFFFAOYSA-N
XLogP2.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115249490
1-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136244
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115135992) is 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is COc1ccc(CN(C)CC(C)(C)N)cc1C.
What is the InChIKey of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is LJDBNQOCBDYVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-8-12(6-7-13(11)17-5)9-16(4)10-14(2,3)15/h6-8H,9-10,15H2,1-5H3.
What are the key properties of 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115135992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).