4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol

C14H20ClNO — CID 113376014

IUPAC4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-9(5-10(2)17)16-14-7-11-3-4-13(15)6-12(11)8-14/h3-4,6,9-10,14,16-17H,5,7-8H2,1-2H3
InChIKeyJAHNXWRZNPFRTI-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.56
Rot. Bonds4

About 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol

4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol (PubChem CID 113376014) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol
PubChem CID113376014
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol
SMILESCC(O)CC(C)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-9(5-10(2)17)16-14-7-11-3-4-13(15)6-12(11)8-14/h3-4,6,9-10,14,16-17H,5,7-8H2,1-2H3
InChIKeyJAHNXWRZNPFRTI-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol?
The IUPAC name of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol (CID 113376014) is 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol?
The canonical SMILES for 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol is CC(O)CC(C)NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol?
The InChIKey is JAHNXWRZNPFRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9(5-10(2)17)16-14-7-11-3-4-13(15)6-12(11)8-14/h3-4,6,9-10,14,16-17H,5,7-8H2,1-2H3.
What are the key properties of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol?
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol has a molecular weight of 253.77 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 113376014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).