5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine

C15H22ClN — CID 107319955

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
SMILESClCCCCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22ClN/c16-9-2-1-3-10-17-12-13-7-8-14-5-4-6-15(14)11-13/h7-8,11,17H,1-6,9-10,12H2
InChIKeyHILYTOALAAZRNG-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.67
Rot. Bonds7

About 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine

5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine (PubChem CID 107319955) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
PubChem CID107319955
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
SMILESClCCCCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22ClN/c16-9-2-1-3-10-17-12-13-7-8-14-5-4-6-15(14)11-13/h7-8,11,17H,1-6,9-10,12H2
InChIKeyHILYTOALAAZRNG-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloropentan-1-amine
CID 107319773
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
N-benzyl-12-chlorododecan-1-amine
CID 175007443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine (CID 107319955) is 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine is ClCCCCCNCc1ccc2c(c1)CCC2.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine?
The InChIKey is HILYTOALAAZRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-9-2-1-3-10-17-12-13-7-8-14-5-4-6-15(14)11-13/h7-8,11,17H,1-6,9-10,12H2.
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine?
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine is sourced from PubChem (CID 107319955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).