2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline

C17H23ClN2S — CID 114861946

IUPAC2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
SMILESCC(N)Cc1cc(Cl)ccc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H23ClN2S/c1-12(19)9-14-11-15(18)6-7-17(14)20(3)13(2)10-16-5-4-8-21-16/h4-8,11-13H,9-10,19H2,1-3H3
InChIKeyKQMDZZWETCBPAU-UHFFFAOYSA-N
MW322.91 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline

2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline (PubChem CID 114861946) has the molecular formula C17H23ClN2S and a molecular weight of 322.91 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
PubChem CID114861946
Molecular FormulaC17H23ClN2S
Molecular Weight322.91 g/mol
Exact Mass322.13
IUPAC Name2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
SMILESCC(N)Cc1cc(Cl)ccc1N(C)C(C)Cc1cccs1
InChIInChI=1S/C17H23ClN2S/c1-12(19)9-14-11-15(18)6-7-17(14)20(3)13(2)10-16-5-4-8-21-16/h4-8,11-13H,9-10,19H2,1-3H3
InChIKeyKQMDZZWETCBPAU-UHFFFAOYSA-N
XLogP4.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
5-chloro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]aniline
CID 79476388
2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
CID 114862282
2-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476571
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzaldehyde
CID 81146289
1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
CID 79476527
2-(ethylaminomethyl)-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 79488908
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
3-amino-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenesulfonamide
CID 79472414
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline (CID 114861946) is 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline is CC(N)Cc1cc(Cl)ccc1N(C)C(C)Cc1cccs1.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline?
The InChIKey is KQMDZZWETCBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-12(19)9-14-11-15(18)6-7-17(14)20(3)13(2)10-16-5-4-8-21-16/h4-8,11-13H,9-10,19H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline?
2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline has a molecular weight of 322.91 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 114861946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).