2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine

C15H25ClN2 — CID 43830762

IUPAC2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine
SMILESCCC(N(CC)CC)C(C)(N)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-5-14(18(6-2)7-3)15(4,17)12-8-10-13(16)11-9-12/h8-11,14H,5-7,17H2,1-4H3
InChIKeyCYVZXNOCIHCAHT-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.63
Rot. Bonds6

About 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine

2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine (PubChem CID 43830762) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine
PubChem CID43830762
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine
SMILESCCC(N(CC)CC)C(C)(N)c1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2/c1-5-14(18(6-2)7-3)15(4,17)12-8-10-13(16)11-9-12/h8-11,14H,5-7,17H2,1-4H3
InChIKeyCYVZXNOCIHCAHT-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine?
The IUPAC name of 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine (CID 43830762) is 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine is CCC(N(CC)CC)C(C)(N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine?
The InChIKey is CYVZXNOCIHCAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-14(18(6-2)7-3)15(4,17)12-8-10-13(16)11-9-12/h8-11,14H,5-7,17H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine?
2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-N,3-N-diethylpentane-2,3-diamine is sourced from PubChem (CID 43830762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).