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

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

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Related Compounds

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
CID 81328281
5-chloro-N-[1-(2-chlorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 115348779
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
CID 115720479
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N,4-dimethylpentanamide
CID 81333692
methyl (2S)-2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propanoate
CID 113291777
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutanoic acid
CID 113291789
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 81343273
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349151
5-chloro-N-(2-methyl-1-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348805
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol
CID 81343825
5-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349183
3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol
CID 103787440

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).