N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine

C18H32N2O — CID 62260778

IUPACN-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)c1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-8-18(5,13-19-17(2,3)4)14-20(6)15-11-9-10-12-16(15)21-7/h9-12,19H,8,13-14H2,1-7H3
InChIKeyKIGDCFNVJRJUKS-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.94
Rot. Bonds7

About N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine

N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62260778) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62260778
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)c1ccccc1OC
InChIInChI=1S/C18H32N2O/c1-8-18(5,13-19-17(2,3)4)14-20(6)15-11-9-10-12-16(15)21-7/h9-12,19H,8,13-14H2,1-7H3
InChIKeyKIGDCFNVJRJUKS-UHFFFAOYSA-N
XLogP3.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-methoxyphenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 62260433
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259584
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 55074176
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
2-methoxy-N-methyl-N-propylaniline
CID 23198488
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
2-cyclopropyl-2-(ethylamino)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 64791730
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine (CID 62260778) is N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)c1ccccc1OC.
What is the InChIKey of N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is KIGDCFNVJRJUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-8-18(5,13-19-17(2,3)4)14-20(6)15-11-9-10-12-16(15)21-7/h9-12,19H,8,13-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine?
N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62260778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).