N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline

C18H26N2S — CID 115994862

IUPACN-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCCCNC(CC)c1ccccc1N(C)Cc1cccs1
InChIInChI=1S/C18H26N2S/c1-4-12-19-17(5-2)16-10-6-7-11-18(16)20(3)14-15-9-8-13-21-15/h6-11,13,17,19H,4-5,12,14H2,1-3H3
InChIKeyBTUGVPDFWUYRJA-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.84
Rot. Bonds8

About N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline

N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline (PubChem CID 115994862) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
PubChem CID115994862
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
SMILESCCCNC(CC)c1ccccc1N(C)Cc1cccs1
InChIInChI=1S/C18H26N2S/c1-4-12-19-17(5-2)16-10-6-7-11-18(16)20(3)14-15-9-8-13-21-15/h6-11,13,17,19H,4-5,12,14H2,1-3H3
InChIKeyBTUGVPDFWUYRJA-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-N'-[2-[1-(propylamino)propyl]phenyl]ethane-1,2-diamine
CID 115995247
N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994976
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
N-methyl-N-(2-methylsulfonylethyl)-2-[1-(propylamino)propyl]aniline
CID 115995349
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945
N-butan-2-yl-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677858
N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 115995187
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 106854675
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
N-cyclopropyl-N-ethyl-2-[1-(propylamino)propyl]aniline
CID 112677823

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline (CID 115994862) is N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline is CCCNC(CC)c1ccccc1N(C)Cc1cccs1.
What is the InChIKey of N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BTUGVPDFWUYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-4-12-19-17(5-2)16-10-6-7-11-18(16)20(3)14-15-9-8-13-21-15/h6-11,13,17,19H,4-5,12,14H2,1-3H3.
What are the key properties of N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline?
N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 302.49 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(propylamino)propyl]-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 115994862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).