(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine

C12H19N — CID 118026515

IUPAC(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCCN(C)[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H19N/c1-5-13(4)11(3)12-8-6-10(2)7-9-12/h6-9,11H,5H2,1-4H3/t11-/m0/s1
InChIKeyUGNIDVWZEVCIED-NSHDSACASA-N
MW177.29 g/mol
LogP3.01
Rot. Bonds3

About (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine

(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 118026515) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID118026515
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCCN(C)[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C12H19N/c1-5-13(4)11(3)12-8-6-10(2)7-9-12/h6-9,11H,5H2,1-4H3/t11-/m0/s1
InChIKeyUGNIDVWZEVCIED-NSHDSACASA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-[1-(4-methylphenyl)ethyl]prop-2-yn-1-amine
CID 59766585
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
(1R)-N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 71092063
N,N-dimethyl-1-[4-[3-(4-methylphenyl)phenyl]phenyl]ethanamine
CID 176844066
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 104554768
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N-ethyl-N,4-dimethylaniline
CID 3036494
N-ethyl-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 130615257
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
1-[[2-amino-1-(4-methylphenyl)butyl]-methylamino]propan-2-ol
CID 62333821
(2R)-1-[1-(4-fluorophenyl)ethyl-methylamino]butan-2-ol
CID 111487223
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine (CID 118026515) is (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine is CCN(C)[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is UGNIDVWZEVCIED-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N/c1-5-13(4)11(3)12-8-6-10(2)7-9-12/h6-9,11H,5H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine?
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 118026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).