N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine

C16H24ClN — CID 82215306

IUPACN-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24ClN/c1-3-4-10-18(2)12-16(17)15-9-8-13-6-5-7-14(13)11-15/h8-9,11,16H,3-7,10,12H2,1-2H3
InChIKeyHQSHPYAUJNUFLZ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.19
Rot. Bonds6

About N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine

N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine (PubChem CID 82215306) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine
PubChem CID82215306
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24ClN/c1-3-4-10-18(2)12-16(17)15-9-8-13-6-5-7-14(13)11-15/h8-9,11,16H,3-7,10,12H2,1-2H3
InChIKeyHQSHPYAUJNUFLZ-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
N-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 82214957
6-[2-[butyl(methyl)amino]-1-chloroethyl]-3H-1,3-benzoxazol-2-one
CID 82214976
N-[2-chloro-2-(4-methoxy-3-nitrophenyl)ethyl]-N-methylbutan-1-amine
CID 82215276
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1H-indene
CID 115482816
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
1-(2,3-dihydro-1H-inden-5-yl)-N-ethylheptan-1-amine
CID 114752406
ethyl 2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)acetate
CID 116914231
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
CID 61085662
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine?
The IUPAC name of N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine (CID 82215306) is N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine is CCCCN(C)CC(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine?
The InChIKey is HQSHPYAUJNUFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-4-10-18(2)12-16(17)15-9-8-13-6-5-7-14(13)11-15/h8-9,11,16H,3-7,10,12H2,1-2H3.
What are the key properties of N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine?
N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutan-1-amine is sourced from PubChem (CID 82215306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).