(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine

C12H20N2 — CID 93279766

IUPAC(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1ccc([C@H](CN)N(C)C)cc1C
InChIInChI=1S/C12H20N2/c1-9-5-6-11(7-10(9)2)12(8-13)14(3)4/h5-7,12H,8,13H2,1-4H3/t12-/m0/s1
InChIKeyRSVBFMJFRYEDRM-LBPRGKRZSA-N
MW192.31 g/mol
LogP1.86
Rot. Bonds3

About (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine

(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 93279766) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID93279766
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1ccc([C@H](CN)N(C)C)cc1C
InChIInChI=1S/C12H20N2/c1-9-5-6-11(7-10(9)2)12(8-13)14(3)4/h5-7,12H,8,13H2,1-4H3/t12-/m0/s1
InChIKeyRSVBFMJFRYEDRM-LBPRGKRZSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
1-(3,4-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904772
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
1-(3,4-dimethylphenyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 63470604
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470
4-[2-amino-1-(dimethylamino)ethyl]-2,6-dimethylphenol
CID 82507670
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine (CID 93279766) is (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine is Cc1ccc([C@H](CN)N(C)C)cc1C.
What is the InChIKey of (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is RSVBFMJFRYEDRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2/c1-9-5-6-11(7-10(9)2)12(8-13)14(3)4/h5-7,12H,8,13H2,1-4H3/t12-/m0/s1.
What are the key properties of (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 93279766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).