N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline

C17H22N2S — CID 61449002

IUPACN-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCNC(C)c1ccccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H22N2S/c1-13(18-2)16-7-3-4-8-17(16)19(14-9-10-14)12-15-6-5-11-20-15/h3-8,11,13-14,18H,9-10,12H2,1-2H3
InChIKeyYCZMXDYNCDBACD-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.20
Rot. Bonds6

About N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline

N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61449002) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
PubChem CID61449002
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCNC(C)c1ccccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H22N2S/c1-13(18-2)16-7-3-4-8-17(16)19(14-9-10-14)12-15-6-5-11-20-15/h3-8,11,13-14,18H,9-10,12H2,1-2H3
InChIKeyYCZMXDYNCDBACD-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
CID 103959893
N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 83122008
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073669
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81247478
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline (CID 61449002) is N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline is CNC(C)c1ccccc1N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is YCZMXDYNCDBACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13(18-2)16-7-3-4-8-17(16)19(14-9-10-14)12-15-6-5-11-20-15/h3-8,11,13-14,18H,9-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline?
N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 286.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61449002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).