2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine

C9H14ClNS — CID 65024360

IUPAC2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCC(Cl)CNCCc1cccs1
InChIInChI=1S/C9H14ClNS/c1-8(10)7-11-5-4-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyQOQOPQAYSPRWDS-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.51
Rot. Bonds5

About 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine

2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 65024360) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID65024360
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCC(Cl)CNCCc1cccs1
InChIInChI=1S/C9H14ClNS/c1-8(10)7-11-5-4-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyQOQOPQAYSPRWDS-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 65025687
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
N-[2-(2-methylpropylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62577565
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
2-chloro-N-(2-thiophen-2-ylethyl)prop-2-en-1-amine
CID 60695451
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 65024360) is 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine is CC(Cl)CNCCc1cccs1.
What is the InChIKey of 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is QOQOPQAYSPRWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS/c1-8(10)7-11-5-4-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine?
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 203.74 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 65024360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).