2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline

C16H16Cl2N2 — CID 82840790

IUPAC2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
SMILESNc1c(Cl)cc(CNC2CC2c2ccccc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-13-6-10(7-14(18)16(13)19)9-20-15-8-12(15)11-4-2-1-3-5-11/h1-7,12,15,20H,8-9,19H2
InChIKeyMIRDOHDBGILWMZ-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.22
Rot. Bonds4

About 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline

2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline (PubChem CID 82840790) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
PubChem CID82840790
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
SMILESNc1c(Cl)cc(CNC2CC2c2ccccc2)cc1Cl
InChIInChI=1S/C16H16Cl2N2/c17-13-6-10(7-14(18)16(13)19)9-20-15-8-12(15)11-4-2-1-3-5-11/h1-7,12,15,20H,8-9,19H2
InChIKeyMIRDOHDBGILWMZ-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline?
The IUPAC name of 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline (CID 82840790) is 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline is Nc1c(Cl)cc(CNC2CC2c2ccccc2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline?
The InChIKey is MIRDOHDBGILWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c17-13-6-10(7-14(18)16(13)19)9-20-15-8-12(15)11-4-2-1-3-5-11/h1-7,12,15,20H,8-9,19H2.
What are the key properties of 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline?
2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline has a molecular weight of 307.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline is sourced from PubChem (CID 82840790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).