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

C15H22ClNO — CID 81328281

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H22ClNO/c1-10(2)5-15(9-18)17-14-7-11-3-4-13(16)6-12(11)8-14/h3-4,6,10,14-15,17-18H,5,7-9H2,1-2H3
InChIKeyAXAVYYJBGXLYHW-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.80
Rot. Bonds5

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

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol (PubChem CID 81328281) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
PubChem CID81328281
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H22ClNO/c1-10(2)5-15(9-18)17-14-7-11-3-4-13(16)6-12(11)8-14/h3-4,6,10,14-15,17-18H,5,7-9H2,1-2H3
InChIKeyAXAVYYJBGXLYHW-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol (CID 81328281) is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol?
The InChIKey is AXAVYYJBGXLYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)5-15(9-18)17-14-7-11-3-4-13(16)6-12(11)8-14/h3-4,6,10,14-15,17-18H,5,7-9H2,1-2H3.
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol?
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 81328281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).