N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C13H22N2 — CID 70966338

IUPACN-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1cccc(CNCCN(C)C)c1
InChIInChI=1S/C13H22N2/c1-4-12-6-5-7-13(10-12)11-14-8-9-15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3
InChIKeyDEVLZABGNXATPQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds6

About N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 70966338) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID70966338
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCCc1cccc(CNCCN(C)C)c1
InChIInChI=1S/C13H22N2/c1-4-12-6-5-7-13(10-12)11-14-8-9-15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3
InChIKeyDEVLZABGNXATPQ-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-ene;ethane;N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 143170155
N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 59788958
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
CID 140622426
CID 140622426
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
3-[[2-(dimethylamino)ethylamino]methyl]benzonitrile;dihydrochloride
CID 47002374
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 70966338) is N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is CCc1cccc(CNCCN(C)C)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DEVLZABGNXATPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12-6-5-7-13(10-12)11-14-8-9-15(2)3/h5-7,10,14H,4,8-9,11H2,1-3H3.
What are the key properties of N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 70966338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).