N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline

C11H18N2 — CID 130697779

IUPACN,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
SMILESCN[C@@H](C)c1cccc(N(C)C)c1
InChIInChI=1S/C11H18N2/c1-9(12-2)10-6-5-7-11(8-10)13(3)4/h5-9,12H,1-4H3/t9-/m0/s1
InChIKeyAZYBNOIAQSAUCT-VIFPVBQESA-N
MW178.28 g/mol
LogP2.03
Rot. Bonds3

About N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline

N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline (PubChem CID 130697779) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
PubChem CID130697779
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline
SMILESCN[C@@H](C)c1cccc(N(C)C)c1
InChIInChI=1S/C11H18N2/c1-9(12-2)10-6-5-7-11(8-10)13(3)4/h5-9,12H,1-4H3/t9-/m0/s1
InChIKeyAZYBNOIAQSAUCT-VIFPVBQESA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
N,N-dimethyl-3-[5-[1-(methylamino)ethyl]-3-pyridinyl]aniline
CID 82540354
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
N,N-dimethyl-3-[3-methyl-1-(methylamino)but-2-enyl]aniline
CID 105163326
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
3-[2-cyclopropyl-1-(methylamino)ethyl]-N,N-dimethylaniline
CID 105152827
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
(1R)-1-(3-tert-butylphenyl)-N-methylethanamine
CID 131209247
3-[hydrazinyl(phenyl)methyl]-N,N-dimethylaniline
CID 105282900
1-[3-(dimethylamino)phenyl]-3-methylbutan-1-ol
CID 105076156

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline?
The IUPAC name of N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline (CID 130697779) is N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline is CN[C@@H](C)c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline?
The InChIKey is AZYBNOIAQSAUCT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2/c1-9(12-2)10-6-5-7-11(8-10)13(3)4/h5-9,12H,1-4H3/t9-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline?
N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline has a molecular weight of 178.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(1S)-1-(methylamino)ethyl]aniline is sourced from PubChem (CID 130697779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).