2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline

C17H21ClN2S — CID 114861578

IUPAC2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(N)Cc1cc(Cl)ccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H21ClN2S/c1-12(19)9-13-10-14(18)4-7-17(13)20(15-5-6-15)11-16-3-2-8-21-16/h2-4,7-8,10,12,15H,5-6,9,11,19H2,1H3
InChIKeyOWSHBPVVVVGMJN-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.46
Rot. Bonds6

About 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline

2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 114861578) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID114861578
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
SMILESCC(N)Cc1cc(Cl)ccc1N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H21ClN2S/c1-12(19)9-13-10-14(18)4-7-17(13)20(15-5-6-15)11-16-3-2-8-21-16/h2-4,7-8,10,12,15H,5-6,9,11,19H2,1H3
InChIKeyOWSHBPVVVVGMJN-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 107926092
(1S)-1-[3-bromo-4-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940254
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 61450921
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61451030
N-cyclopropyl-2-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)aniline
CID 61449002
1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 114849046

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline (CID 114861578) is 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline is CC(N)Cc1cc(Cl)ccc1N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is OWSHBPVVVVGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-12(19)9-13-10-14(18)4-7-17(13)20(15-5-6-15)11-16-3-2-8-21-16/h2-4,7-8,10,12,15H,5-6,9,11,19H2,1H3.
What are the key properties of 2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline?
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 320.89 g/mol, XLogP of 4.46, 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-cyclopropyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 114861578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).