2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline

C16H20N2S — CID 107926092

IUPAC2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1ccc(N(Cc2cccs2)C2CC2)c(CN)c1
InChIInChI=1S/C16H20N2S/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,10-11,17H2,1H3
InChIKeyBYOJYVXHUMMKIQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.68
Rot. Bonds5

About 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline

2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 107926092) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID107926092
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCc1ccc(N(Cc2cccs2)C2CC2)c(CN)c1
InChIInChI=1S/C16H20N2S/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,10-11,17H2,1H3
InChIKeyBYOJYVXHUMMKIQ-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylbenzoic acid
CID 62515880
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
2-(2-aminopropyl)-4-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)aniline
CID 114861578
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
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
4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61449188
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 61450921
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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline (CID 107926092) is 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline is Cc1ccc(N(Cc2cccs2)C2CC2)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is BYOJYVXHUMMKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-4-7-16(13(9-12)10-17)18(14-5-6-14)11-15-3-2-8-19-15/h2-4,7-9,14H,5-6,10-11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline?
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 272.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 107926092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).