1-chloro-4-phenylbenzene;ethanamine

C16H23ClN2 — CID 174641678

IUPAC1-chloro-4-phenylbenzene;ethanamine
SMILESCCN.CCN.Clc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9Cl.2C2H7N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2-3/h1-9H;2*2-3H2,1H3
InChIKeyXGIHJNHAESRSCI-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.94
Rot. Bonds1

About 1-chloro-4-phenylbenzene;ethanamine

1-chloro-4-phenylbenzene;ethanamine (PubChem CID 174641678) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-chloro-4-phenylbenzene;ethanamine.

Molecular Properties

Compound Name1-chloro-4-phenylbenzene;ethanamine
PubChem CID174641678
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-chloro-4-phenylbenzene;ethanamine
SMILESCCN.CCN.Clc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H9Cl.2C2H7N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2-3/h1-9H;2*2-3H2,1H3
InChIKeyXGIHJNHAESRSCI-UHFFFAOYSA-N
XLogP3.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-phenylbenzene;ethanamine?
The IUPAC name of 1-chloro-4-phenylbenzene;ethanamine (CID 174641678) is 1-chloro-4-phenylbenzene;ethanamine.
What is the SMILES notation for 1-chloro-4-phenylbenzene;ethanamine?
The canonical SMILES for 1-chloro-4-phenylbenzene;ethanamine is CCN.CCN.Clc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-chloro-4-phenylbenzene;ethanamine?
The InChIKey is XGIHJNHAESRSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl.2C2H7N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*1-2-3/h1-9H;2*2-3H2,1H3.
What are the key properties of 1-chloro-4-phenylbenzene;ethanamine?
1-chloro-4-phenylbenzene;ethanamine has a molecular weight of 278.83 g/mol, XLogP of 3.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-phenylbenzene;ethanamine is sourced from PubChem (CID 174641678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).