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

C10H15ClN2 — CID 65377716

IUPAC2-N-(2-chlorophenyl)butane-1,2-diamine
SMILESCCC(CN)Nc1ccccc1Cl
InChIInChI=1S/C10H15ClN2/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8,13H,2,7,12H2,1H3
InChIKeyHLKCKNDZOQQOJZ-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.49
Rot. Bonds4

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

2-N-(2-chlorophenyl)butane-1,2-diamine (PubChem CID 65377716) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)butane-1,2-diamine
PubChem CID65377716
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-N-(2-chlorophenyl)butane-1,2-diamine
SMILESCCC(CN)Nc1ccccc1Cl
InChIInChI=1S/C10H15ClN2/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8,13H,2,7,12H2,1H3
InChIKeyHLKCKNDZOQQOJZ-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65377297
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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)butane-1,2-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)butane-1,2-diamine (CID 65377716) is 2-N-(2-chlorophenyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)butane-1,2-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)butane-1,2-diamine is CCC(CN)Nc1ccccc1Cl.
What is the InChIKey of 2-N-(2-chlorophenyl)butane-1,2-diamine?
The InChIKey is HLKCKNDZOQQOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-8(7-12)13-10-6-4-3-5-9(10)11/h3-6,8,13H,2,7,12H2,1H3.
What are the key properties of 2-N-(2-chlorophenyl)butane-1,2-diamine?
2-N-(2-chlorophenyl)butane-1,2-diamine has a molecular weight of 198.70 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)butane-1,2-diamine is sourced from PubChem (CID 65377716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).