2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

C14H20N4 — CID 78934710

IUPAC2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESC[C@H](N)c1ccccc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H20N4/c1-11(15)13-6-4-5-7-14(13)17(2)9-12-8-16-18(3)10-12/h4-8,10-11H,9,15H2,1-3H3/t11-/m0/s1
InChIKeyVTHVIOOHOMUHNT-NSHDSACASA-N
MW244.34 g/mol
LogP2.08
Rot. Bonds4

About 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline

2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 78934710) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID78934710
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESC[C@H](N)c1ccccc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H20N4/c1-11(15)13-6-4-5-7-14(13)17(2)9-12-8-16-18(3)10-12/h4-8,10-11H,9,15H2,1-3H3/t11-/m0/s1
InChIKeyVTHVIOOHOMUHNT-NSHDSACASA-N
XLogP2.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
CID 61442479
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 31921150
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442129
2-(2-aminopropyl)-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 63815488
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81246090
8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
CID 103137557

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 78934710) is 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is C[C@H](N)c1ccccc1N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is VTHVIOOHOMUHNT-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4/c1-11(15)13-6-4-5-7-14(13)17(2)9-12-8-16-18(3)10-12/h4-8,10-11H,9,15H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline?
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 78934710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).