4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline

C15H20N2S — CID 114066032

IUPAC4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCC[C@H](N)c1ccc(N(C)Cc2ccsc2)cc1
InChIInChI=1S/C15H20N2S/c1-3-15(16)13-4-6-14(7-5-13)17(2)10-12-8-9-18-11-12/h4-9,11,15H,3,10,16H2,1-2H3/t15-/m0/s1
InChIKeyCVFXCBMKISUJRO-HNNXBMFYSA-N
MW260.41 g/mol
LogP3.79
Rot. Bonds5

About 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline

4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 114066032) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID114066032
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCC[C@H](N)c1ccc(N(C)Cc2ccsc2)cc1
InChIInChI=1S/C15H20N2S/c1-3-15(16)13-4-6-14(7-5-13)17(2)10-12-8-9-18-11-12/h4-9,11,15H,3,10,16H2,1-2H3/t15-/m0/s1
InChIKeyCVFXCBMKISUJRO-HNNXBMFYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55236410
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63368274
5-(2-aminobutyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80633966
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63785488
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
CID 62134695
4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114066213
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64545565

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline (CID 114066032) is 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline is CC[C@H](N)c1ccc(N(C)Cc2ccsc2)cc1.
What is the InChIKey of 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is CVFXCBMKISUJRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-15(16)13-4-6-14(7-5-13)17(2)10-12-8-9-18-11-12/h4-9,11,15H,3,10,16H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline?
4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 260.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminopropyl]-N-methyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 114066032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).