2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine

C10H14ClNS — CID 65029704

IUPAC2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESClC(CNCc1ccsc1)C1CC1
InChIInChI=1S/C10H14ClNS/c11-10(9-1-2-9)6-12-5-8-3-4-13-7-8/h3-4,7,9-10,12H,1-2,5-6H2
InChIKeyQFQJYPJBSVKMGA-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.86
Rot. Bonds5

About 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine

2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 65029704) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID65029704
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine
SMILESClC(CNCc1ccsc1)C1CC1
InChIInChI=1S/C10H14ClNS/c11-10(9-1-2-9)6-12-5-8-3-4-13-7-8/h3-4,7,9-10,12H,1-2,5-6H2
InChIKeyQFQJYPJBSVKMGA-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N,N-dimethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 115584787
2-chloro-2-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 65030216
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 65029881
1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
3-cyclopentyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115578432
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine (CID 65029704) is 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine is ClC(CNCc1ccsc1)C1CC1.
What is the InChIKey of 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is QFQJYPJBSVKMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-10(9-1-2-9)6-12-5-8-3-4-13-7-8/h3-4,7,9-10,12H,1-2,5-6H2.
What are the key properties of 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine?
2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 215.75 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-cyclopropyl-N-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 65029704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).