(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine

C9H12ClNS — CID 107899906

IUPAC(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)c1ccsc1
InChIInChI=1S/C9H12ClNS/c1-8(11-5-2-4-10)9-3-6-12-7-9/h2-4,6-8,11H,5H2,1H3/b4-2+
InChIKeyCNOROPNPGGXGOQ-DUXPYHPUSA-N
MW201.72 g/mol
LogP3.15
Rot. Bonds4

About (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine

(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine (PubChem CID 107899906) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine
PubChem CID107899906
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine
SMILESCC(NC/C=C/Cl)c1ccsc1
InChIInChI=1S/C9H12ClNS/c1-8(11-5-2-4-10)9-3-6-12-7-9/h2-4,6-8,11H,5H2,1H3/b4-2+
InChIKeyCNOROPNPGGXGOQ-DUXPYHPUSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 103912541
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine
CID 107900148
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
CID 66046894
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine (CID 107899906) is (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine is CC(NC/C=C/Cl)c1ccsc1.
What is the InChIKey of (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine?
The InChIKey is CNOROPNPGGXGOQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-8(11-5-2-4-10)9-3-6-12-7-9/h2-4,6-8,11H,5H2,1H3/b4-2+.
What are the key properties of (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine?
(E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine has a molecular weight of 201.72 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-(1-thiophen-3-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 107899906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).