N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine

C16H29N3 — CID 102995262

IUPACN'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCNCc1ccccc1N(CC)CCCN(C)C
InChIInChI=1S/C16H29N3/c1-5-17-14-15-10-7-8-11-16(15)19(6-2)13-9-12-18(3)4/h7-8,10-11,17H,5-6,9,12-14H2,1-4H3
InChIKeyOXMUSBXWMOUETA-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.57
Rot. Bonds9

About N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine

N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 102995262) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID102995262
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCNCc1ccccc1N(CC)CCCN(C)C
InChIInChI=1S/C16H29N3/c1-5-17-14-15-10-7-8-11-16(15)19(6-2)13-9-12-18(3)4/h7-8,10-11,17H,5-6,9,12-14H2,1-4H3
InChIKeyOXMUSBXWMOUETA-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
N'-[4-chloro-2-(propylaminomethyl)phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995199
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
3-[N-[3-(dimethylamino)propyl]-2-ethylanilino]-2-methylpropanoic acid
CID 82320010

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine (CID 102995262) is N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine is CCNCc1ccccc1N(CC)CCCN(C)C.
What is the InChIKey of N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is OXMUSBXWMOUETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-17-14-15-10-7-8-11-16(15)19(6-2)13-9-12-18(3)4/h7-8,10-11,17H,5-6,9,12-14H2,1-4H3.
What are the key properties of N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102995262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).