5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine

C15H22ClN — CID 104827853

IUPAC5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(Cl)ccc21)C(C)(C)C
InChIInChI=1S/C15H22ClN/c1-10(15(2,3)4)17-14-8-5-11-9-12(16)6-7-13(11)14/h6-7,9-10,14,17H,5,8H2,1-4H3
InChIKeyYBOOOSXPDCDKEP-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.35
Rot. Bonds2

About 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 104827853) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID104827853
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2cc(Cl)ccc21)C(C)(C)C
InChIInChI=1S/C15H22ClN/c1-10(15(2,3)4)17-14-8-5-11-9-12(16)6-7-13(11)14/h6-7,9-10,14,17H,5,8H2,1-4H3
InChIKeyYBOOOSXPDCDKEP-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 81302223
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115725341
6-chloro-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 113457741
2-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 81345581
5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81300722
5-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81328984
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81345201
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 81300774
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine (CID 104827853) is 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2cc(Cl)ccc21)C(C)(C)C.
What is the InChIKey of 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YBOOOSXPDCDKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-10(15(2,3)4)17-14-8-5-11-9-12(16)6-7-13(11)14/h6-7,9-10,14,17H,5,8H2,1-4H3.
What are the key properties of 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104827853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).