2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol

C14H18ClN3O — CID 62521090

IUPAC2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H18ClN3O/c1-3-14(4-2,9-19)16-13-11-8-6-5-7-10(11)12(15)17-18-13/h5-8,19H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyAJPFNMVCRZLLPD-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.25
Rot. Bonds5

About 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol

2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol (PubChem CID 62521090) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol
PubChem CID62521090
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H18ClN3O/c1-3-14(4-2,9-19)16-13-11-8-6-5-7-10(11)12(15)17-18-13/h5-8,19H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyAJPFNMVCRZLLPD-UHFFFAOYSA-N
XLogP3.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol (CID 62521090) is 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1nnc(Cl)c2ccccc12.
What is the InChIKey of 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is AJPFNMVCRZLLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-14(4-2,9-19)16-13-11-8-6-5-7-10(11)12(15)17-18-13/h5-8,19H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol?
2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 279.77 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62521090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).