(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine

C13H22N2 — CID 93489617

IUPAC(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC)[C@@H](CN)c1ccccc1C
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13(10-14)12-9-7-6-8-11(12)3/h6-9,13H,4-5,10,14H2,1-3H3/t13-/m0/s1
InChIKeyOWQIRLVOUXXGRO-ZDUSSCGKSA-N
MW206.33 g/mol
LogP2.34
Rot. Bonds5

About (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine

(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 93489617) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID93489617
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC)[C@@H](CN)c1ccccc1C
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13(10-14)12-9-7-6-8-11(12)3/h6-9,13H,4-5,10,14H2,1-3H3/t13-/m0/s1
InChIKeyOWQIRLVOUXXGRO-ZDUSSCGKSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-amino-1-(2-methylphenyl)ethyl]-(cyanomethyl)amino]acetonitrile
CID 55018035
2-[[2-amino-1-(2-methylphenyl)ethyl]-propylamino]ethanol
CID 55018185
(1S)-N,N-diethyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 30115269
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380
1-(2,3-dimethylphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 63471957
N-ethyl-1-(2-methylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 61076579
N-(3,5-dimethylphenyl)-N-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62004079
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine
CID 84750392
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
3-[[2-amino-1-(2-chlorophenyl)ethyl]-ethylamino]propan-1-ol
CID 113468616

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine (CID 93489617) is (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine is CCN(CC)[C@@H](CN)c1ccccc1C.
What is the InChIKey of (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is OWQIRLVOUXXGRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(5-2)13(10-14)12-9-7-6-8-11(12)3/h6-9,13H,4-5,10,14H2,1-3H3/t13-/m0/s1.
What are the key properties of (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine?
(1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-diethyl-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 93489617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).