2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

C16H28N2O — CID 61476456

IUPAC2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(C(C)NC(CN(C)C)C(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-12(2)16(11-18(4)5)17-13(3)14-7-9-15(19-6)10-8-14/h7-10,12-13,16-17H,11H2,1-6H3
InChIKeyGIGIULULWVURFH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.93
Rot. Bonds7

About 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61476456) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61476456
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(C(C)NC(CN(C)C)C(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-12(2)16(11-18(4)5)17-13(3)14-7-9-15(19-6)10-8-14/h7-10,12-13,16-17H,11H2,1-6H3
InChIKeyGIGIULULWVURFH-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethyl]phenol
CID 54953461
2-N-[1-(4-iodophenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953620
1-N,1-N,3-trimethyl-2-N-(1-phenylethyl)butane-1,2-diamine
CID 54954174
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61476456) is 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is COc1ccc(C(C)NC(CN(C)C)C(C)C)cc1.
What is the InChIKey of 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is GIGIULULWVURFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)16(11-18(4)5)17-13(3)14-7-9-15(19-6)10-8-14/h7-10,12-13,16-17H,11H2,1-6H3.
What are the key properties of 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methoxyphenyl)ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).