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

C15H20ClNO — CID 65024858

IUPAC2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClC1Cc2ccccc2C1NCC1CCCCO1
InChIInChI=1S/C15H20ClNO/c16-14-9-11-5-1-2-7-13(11)15(14)17-10-12-6-3-4-8-18-12/h1-2,5,7,12,14-15,17H,3-4,6,8-10H2
InChIKeyGEXZHOYTOVUPQI-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.05
Rot. Bonds3

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

2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 65024858) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID65024858
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESClC1Cc2ccccc2C1NCC1CCCCO1
InChIInChI=1S/C15H20ClNO/c16-14-9-11-5-1-2-7-13(11)15(14)17-10-12-6-3-4-8-18-12/h1-2,5,7,12,14-15,17H,3-4,6,8-10H2
InChIKeyGEXZHOYTOVUPQI-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(oxan-2-yl)propanamide
CID 63952367
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262470
4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine
CID 167041325
N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
CID 43344208
2-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115518416
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024641
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(oxolan-2-yl)propanamide
CID 103816964
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 114297933
3-(oxan-2-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313250
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024859
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 112651365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 65024858) is 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is ClC1Cc2ccccc2C1NCC1CCCCO1.
What is the InChIKey of 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GEXZHOYTOVUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-9-11-5-1-2-7-13(11)15(14)17-10-12-6-3-4-8-18-12/h1-2,5,7,12,14-15,17H,3-4,6,8-10H2.
What are the key properties of 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 265.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65024858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).