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

C14H20ClNO — CID 115720479

IUPAC1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-9(2)14(17)8-16-13-6-10-3-4-12(15)5-11(10)7-13/h3-5,9,13-14,16-17H,6-8H2,1-2H3
InChIKeyRECDOVAFDABVKO-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.41
Rot. Bonds4

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

1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol (PubChem CID 115720479) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
PubChem CID115720479
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-9(2)14(17)8-16-13-6-10-3-4-12(15)5-11(10)7-13/h3-5,9,13-14,16-17H,6-8H2,1-2H3
InChIKeyRECDOVAFDABVKO-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol (CID 115720479) is 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol is CC(C)C(O)CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol?
The InChIKey is RECDOVAFDABVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9(2)14(17)8-16-13-6-10-3-4-12(15)5-11(10)7-13/h3-5,9,13-14,16-17H,6-8H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol?
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol has a molecular weight of 253.77 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 115720479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).