N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine

C13H22N2 — CID 81361227

IUPACN',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1cccc([C@@H](C)NCCN(C)C)c1
InChIInChI=1S/C13H22N2/c1-11-6-5-7-13(10-11)12(2)14-8-9-15(3)4/h5-7,10,12,14H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyMOCBBFLKAOGLDM-GFCCVEGCSA-N
MW206.33 g/mol
LogP2.21
Rot. Bonds5

About N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 81361227) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
PubChem CID81361227
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
SMILESCc1cccc([C@@H](C)NCCN(C)C)c1
InChIInChI=1S/C13H22N2/c1-11-6-5-7-13(10-11)12(2)14-8-9-15(3)4/h5-7,10,12,14H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyMOCBBFLKAOGLDM-GFCCVEGCSA-N
XLogP2.21
TPSA15.27 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanenitrile
CID 81360357
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine (CID 81361227) is N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine is Cc1cccc([C@@H](C)NCCN(C)C)c1.
What is the InChIKey of N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is MOCBBFLKAOGLDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2/c1-11-6-5-7-13(10-11)12(2)14-8-9-15(3)4/h5-7,10,12,14H,8-9H2,1-4H3/t12-/m1/s1.
What are the key properties of N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 81361227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).