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

C14H20ClNO — CID 81343825

IUPAC4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-10(4-5-17)9-16-14-7-11-2-3-13(15)6-12(11)8-14/h2-3,6,10,14,16-17H,4-5,7-9H2,1H3
InChIKeyZABJUZUUQLZHEJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.42
Rot. Bonds5

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

4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 81343825) 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]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol
PubChem CID81343825
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-10(4-5-17)9-16-14-7-11-2-3-13(15)6-12(11)8-14/h2-3,6,10,14,16-17H,4-5,7-9H2,1H3
InChIKeyZABJUZUUQLZHEJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol
CID 103787440
5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 81332711
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
CID 115720479
5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
CID 115716168
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776963
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
CID 81328281
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentan-2-ol
CID 113376014
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
CID 113291766
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
CID 115890130

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol (CID 81343825) is 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol is CC(CCO)CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is ZABJUZUUQLZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(4-5-17)9-16-14-7-11-2-3-13(15)6-12(11)8-14/h2-3,6,10,14,16-17H,4-5,7-9H2,1H3.
What are the key properties of 4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol?
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.42, 5 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]-3-methylbutan-1-ol is sourced from PubChem (CID 81343825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).