N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline

C17H22N2S — CID 61449230

IUPACN-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
SMILESCCNCc1ccc(N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-18-12-14-5-7-15(8-6-14)19(16-9-10-16)13-17-4-3-11-20-17/h3-8,11,16,18H,2,9-10,12-13H2,1H3
InChIKeyKBANCIRJBSTERM-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.03
Rot. Bonds7

About N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline

N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 61449230) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
PubChem CID61449230
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
SMILESCCNCc1ccc(N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C17H22N2S/c1-2-18-12-14-5-7-15(8-6-14)19(16-9-10-16)13-17-4-3-11-20-17/h3-8,11,16,18H,2,9-10,12-13H2,1H3
InChIKeyKBANCIRJBSTERM-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
1-[[[4-[methyl(thiophen-2-ylmethyl)amino]phenyl]methylamino]methyl]cyclobutan-1-ol
CID 155951487
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511
5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 113388061
2-chloro-N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 81148558
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 83122008
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585
(1S)-1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]propan-1-ol
CID 103959893
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline (CID 61449230) is N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline is CCNCc1ccc(N(Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is KBANCIRJBSTERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-18-12-14-5-7-15(8-6-14)19(16-9-10-16)13-17-4-3-11-20-17/h3-8,11,16,18H,2,9-10,12-13H2,1H3.
What are the key properties of N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline?
N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 286.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 61449230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).