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

C14H16ClNS — CID 105059415

IUPAC1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(CCl)(NCc1ccsc1)c1ccccc1
InChIInChI=1S/C14H16ClNS/c1-14(11-15,13-5-3-2-4-6-13)16-9-12-7-8-17-10-12/h2-8,10,16H,9,11H2,1H3
InChIKeyPTCOLRLEUOTUDX-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.99
Rot. Bonds5

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

1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 105059415) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID105059415
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(CCl)(NCc1ccsc1)c1ccccc1
InChIInChI=1S/C14H16ClNS/c1-14(11-15,13-5-3-2-4-6-13)16-9-12-7-8-17-10-12/h2-8,10,16H,9,11H2,1H3
InChIKeyPTCOLRLEUOTUDX-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine (CID 105059415) is 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine is CC(CCl)(NCc1ccsc1)c1ccccc1.
What is the InChIKey of 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is PTCOLRLEUOTUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-14(11-15,13-5-3-2-4-6-13)16-9-12-7-8-17-10-12/h2-8,10,16H,9,11H2,1H3.
What are the key properties of 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine?
1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 105059415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).