N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine

C16H28N2O — CID 62260445

IUPACN-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-11-16(2,12-17-3)13-18(4)14-7-9-15(19-5)10-8-14/h7-10,17H,6,11-13H2,1-5H3
InChIKeyPMARIBIZPMRNGO-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.16
Rot. Bonds8

About N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine

N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine (PubChem CID 62260445) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
PubChem CID62260445
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-11-16(2,12-17-3)13-18(4)14-7-9-15(19-5)10-8-14/h7-10,17H,6,11-13H2,1-5H3
InChIKeyPMARIBIZPMRNGO-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493334
N-tert-butyl-N',2-dimethyl-N'-(4-methylphenyl)-2-propylpropane-1,3-diamine
CID 63495185
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
4-[[2-(aminomethyl)-2-methylpentyl]-methylamino]phenol
CID 62263583
4-(4-methoxy-N-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453906
N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
5-(4-methoxy-N-methylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790140
4-methoxy-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]aniline
CID 106906232
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
CID 62337356

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine?
The IUPAC name of N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine (CID 62260445) is N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine is CCCC(C)(CNC)CN(C)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine?
The InChIKey is PMARIBIZPMRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-11-16(2,12-17-3)13-18(4)14-7-9-15(19-5)10-8-14/h7-10,17H,6,11-13H2,1-5H3.
What are the key properties of N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine?
N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,N',2-trimethyl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 62260445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).