1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine

C8H12ClNS — CID 65025507

IUPAC1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(CCl)NCc1ccsc1
InChIInChI=1S/C8H12ClNS/c1-7(4-9)10-5-8-2-3-11-6-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyKPJSKSKJHOBSKQ-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.46
Rot. Bonds4

About 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine

1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 65025507) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID65025507
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(CCl)NCc1ccsc1
InChIInChI=1S/C8H12ClNS/c1-7(4-9)10-5-8-2-3-11-6-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyKPJSKSKJHOBSKQ-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.46
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

(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
CID 43178391
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222821
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-(thiophen-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63247881

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine (CID 65025507) is 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine is CC(CCl)NCc1ccsc1.
What is the InChIKey of 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is KPJSKSKJHOBSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-7(4-9)10-5-8-2-3-11-6-8/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine?
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 189.71 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 65025507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).