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

C18H32N2O — CID 62260624

IUPACN-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)CNCC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)11-19-13-18(3,4)14-20(5)12-16-7-9-17(21-6)10-8-16/h7-10,15,19H,11-14H2,1-6H3
InChIKeyNJLCJOOACFRANR-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.40
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62260624) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62260624
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCOc1ccc(CN(C)CC(C)(C)CNCC(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)11-19-13-18(3,4)14-20(5)12-16-7-9-17(21-6)10-8-16/h7-10,15,19H,11-14H2,1-6H3
InChIKeyNJLCJOOACFRANR-UHFFFAOYSA-N
XLogP3.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62260451
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62435384
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N-[(5-bromothiophen-3-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62260009
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493334
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62553778
N',2,2-trimethyl-N-(2-methylpropyl)-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62258081
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
2-(bromomethyl)-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 65003826
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104708435

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62260624) is N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is COc1ccc(CN(C)CC(C)(C)CNCC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is NJLCJOOACFRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)11-19-13-18(3,4)14-20(5)12-16-7-9-17(21-6)10-8-16/h7-10,15,19H,11-14H2,1-6H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-[(4-methoxyphenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.40, 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,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62260624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).