N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

C16H28N2O — CID 62259584

IUPACN-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccccc1N(C)CC(C)(C)CNC(C)C
InChIInChI=1S/C16H28N2O/c1-13(2)17-11-16(3,4)12-18(5)14-9-7-8-10-15(14)19-6/h7-10,13,17H,11-12H2,1-6H3
InChIKeyQCNITESDJPVLSJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.16
Rot. Bonds7

About N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine

N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62259584) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62259584
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccccc1N(C)CC(C)(C)CNC(C)C
InChIInChI=1S/C16H28N2O/c1-13(2)17-11-16(3,4)12-18(5)14-9-7-8-10-15(14)19-6/h7-10,13,17H,11-12H2,1-6H3
InChIKeyQCNITESDJPVLSJ-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-ethyl-N-(2-methoxyphenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 62260433
N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260778
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
CID 64789926
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62003809
1-N-tert-butyl-2-N-(2-methoxyphenyl)-2-N-methylpropane-1,2-diamine
CID 55074176
3-(2-methoxy-N-methylanilino)-3-methylpentan-2-ol
CID 114274916
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
CID 114228743
2-methoxy-N-methyl-N-propylaniline
CID 23198488

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62259584) is N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is COc1ccccc1N(C)CC(C)(C)CNC(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is QCNITESDJPVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)17-11-16(3,4)12-18(5)14-9-7-8-10-15(14)19-6/h7-10,13,17H,11-12H2,1-6H3.
What are the key properties of N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine?
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62259584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).