N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C17H30N2O — CID 62435384

IUPACN-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)CNCC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)10-18-11-15(3)12-19(4)13-16-6-8-17(20-5)9-7-16/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyUMPFDTSWMLGIJJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.01
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62435384) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62435384
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)CNCC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-14(2)10-18-11-15(3)12-19(4)13-16-6-8-17(20-5)9-7-16/h6-9,14-15,18H,10-13H2,1-5H3
InChIKeyUMPFDTSWMLGIJJ-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260624
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
1-N-[(4-methoxyphenyl)methyl]-1-N-methyl-2-N-propylbutane-1,2-diamine
CID 62040558
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62554430
N-benzyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 62424928
1-(cyclopropylamino)-3-[(4-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 61420561
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
2-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107897183
N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62435384) is N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is COc1ccc(CN(C)CC(C)CNCC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is UMPFDTSWMLGIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)10-18-11-15(3)12-19(4)13-16-6-8-17(20-5)9-7-16/h6-9,14-15,18H,10-13H2,1-5H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62435384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).