N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine

C19H17ClN2S — CID 101141409

IUPACN-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(/C=N\N(Cc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C19H17ClN2S/c20-19-12-11-18(23-19)13-21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2/b21-13-
InChIKeyBIIFHIPNZHIUDL-BKUYFWCQSA-N
MW340.88 g/mol
LogP5.44
Rot. Bonds6

About N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine

N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine (PubChem CID 101141409) has the molecular formula C19H17ClN2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine
PubChem CID101141409
Molecular FormulaC19H17ClN2S
Molecular Weight340.88 g/mol
Exact Mass340.08
IUPAC NameN-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(/C=N\N(Cc2ccccc2)Cc2ccccc2)s1
InChIInChI=1S/C19H17ClN2S/c20-19-12-11-18(23-19)13-21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2/b21-13-
InChIKeyBIIFHIPNZHIUDL-BKUYFWCQSA-N
XLogP5.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine (CID 101141409) is N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine is Clc1ccc(/C=N\N(Cc2ccccc2)Cc2ccccc2)s1.
What is the InChIKey of N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine?
The InChIKey is BIIFHIPNZHIUDL-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H17ClN2S/c20-19-12-11-18(23-19)13-21-22(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2/b21-13-.
What are the key properties of N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine?
N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine has a molecular weight of 340.88 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 101141409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).