N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine

C13H22N2 — CID 103102282

IUPACN'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccccc1CN(CC)CCN
InChIInChI=1S/C13H22N2/c1-3-12-7-5-6-8-13(12)11-15(4-2)10-9-14/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeySTPCMZSWDODKBL-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.03
Rot. Bonds6

About N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 103102282) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
PubChem CID103102282
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccccc1CN(CC)CCN
InChIInChI=1S/C13H22N2/c1-3-12-7-5-6-8-13(12)11-15(4-2)10-9-14/h5-8H,3-4,9-11,14H2,1-2H3
InChIKeySTPCMZSWDODKBL-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-bromo-2-fluorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 107951116
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102194
ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
CID 143246363
N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
CID 54965709
N'-(2-aminoethyl)-N'-[(2-chlorophenyl)methyl]ethane-1,2-diamine
CID 62922224
1,2-diethylbenzene;formamide
CID 157370947
N'-(2-ethylphenyl)-N'-methylethane-1,2-diamine
CID 28772630
2-[(2-ethylphenyl)methyl-propylamino]acetic acid
CID 65064687
N'-[(3-chloro-4-pyridinyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102113
1,2-diethylbenzene;hydrobromide
CID 174973685
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine (CID 103102282) is N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine is CCc1ccccc1CN(CC)CCN.
What is the InChIKey of N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is STPCMZSWDODKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-12-7-5-6-8-13(12)11-15(4-2)10-9-14/h5-8H,3-4,9-11,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(2-ethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103102282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).