2-(4-chlorophenyl)butane-1,4-diamine

C10H15ClN2 — CID 82076304

IUPAC2-(4-chlorophenyl)butane-1,4-diamine
SMILESNCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9H,5-7,12-13H2
InChIKeyYALRNODJDLYNIN-UHFFFAOYSA-N
MW198.70 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-chlorophenyl)butane-1,4-diamine

2-(4-chlorophenyl)butane-1,4-diamine (PubChem CID 82076304) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)butane-1,4-diamine
PubChem CID82076304
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-(4-chlorophenyl)butane-1,4-diamine
SMILESNCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9H,5-7,12-13H2
InChIKeyYALRNODJDLYNIN-UHFFFAOYSA-N
XLogP1.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)butane-1,4-diamine?
The IUPAC name of 2-(4-chlorophenyl)butane-1,4-diamine (CID 82076304) is 2-(4-chlorophenyl)butane-1,4-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)butane-1,4-diamine?
The canonical SMILES for 2-(4-chlorophenyl)butane-1,4-diamine is NCCC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)butane-1,4-diamine?
The InChIKey is YALRNODJDLYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9H,5-7,12-13H2.
What are the key properties of 2-(4-chlorophenyl)butane-1,4-diamine?
2-(4-chlorophenyl)butane-1,4-diamine has a molecular weight of 198.70 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)butane-1,4-diamine is sourced from PubChem (CID 82076304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).