(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine

C12H20N2 — CID 134927015

IUPAC(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C12H20N2/c1-13(2)10-12(14(3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/t12-/m1/s1
InChIKeyVRLWWRXSQPYXQP-GFCCVEGCSA-N
MW192.31 g/mol
LogP1.85
Rot. Bonds4

About (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine

(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine (PubChem CID 134927015) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
PubChem CID134927015
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
SMILESCN(C)C[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C12H20N2/c1-13(2)10-12(14(3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/t12-/m1/s1
InChIKeyVRLWWRXSQPYXQP-GFCCVEGCSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
CID 91054783
(2R)-2-(dimethylamino)-2-phenylethanol
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CID 144553481
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
3-(dimethylamino)-2-phenylpropanal
CID 174693852
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
2-N-(2,2-diphenylethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 107292758
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine?
The IUPAC name of (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine (CID 134927015) is (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine is CN(C)C[C@H](c1ccccc1)N(C)C.
What is the InChIKey of (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine?
The InChIKey is VRLWWRXSQPYXQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2/c1-13(2)10-12(14(3)4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine?
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 134927015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).