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

C9H14ClNS — CID 65025687

IUPAC1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
SMILESCC(CCl)NCCc1cccs1
InChIInChI=1S/C9H14ClNS/c1-8(7-10)11-5-4-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyDQMUTMTUFODYRJ-UHFFFAOYSA-N
MW203.74 g/mol
LogP2.51
Rot. Bonds5

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

1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine (PubChem CID 65025687) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
PubChem CID65025687
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine
SMILESCC(CCl)NCCc1cccs1
InChIInChI=1S/C9H14ClNS/c1-8(7-10)11-5-4-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyDQMUTMTUFODYRJ-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
1-N,1-N-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 63774544
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
2-(5-thiophen-2-ylpentan-2-ylamino)ethanol
CID 83980472
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine?
The IUPAC name of 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine (CID 65025687) is 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine is CC(CCl)NCCc1cccs1.
What is the InChIKey of 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine?
The InChIKey is DQMUTMTUFODYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS/c1-8(7-10)11-5-4-9-3-2-6-12-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine?
1-chloro-N-(2-thiophen-2-ylethyl)propan-2-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 1-chloro-N-(2-thiophen-2-ylethyl)propan-2-amine is sourced from PubChem (CID 65025687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).