5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine

C14H20ClNO — CID 81332711

IUPAC5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCC(C)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-10(9-17-2)8-16-14-6-11-3-4-13(15)5-12(11)7-14/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyDWAOELAQFOACHM-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.68
Rot. Bonds5

About 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81332711) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81332711
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOCC(C)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C14H20ClNO/c1-10(9-17-2)8-16-14-6-11-3-4-13(15)5-12(11)7-14/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyDWAOELAQFOACHM-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-1-ol
CID 81343825
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 81343273
1-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methylbutan-2-ol
CID 115720479
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776963
5-chloro-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 81300469
5-chloro-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-2-amine
CID 115716168
5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107094112
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749
methyl (2S)-2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propanoate
CID 113291777
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226
3-[[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]methyl]hexan-1-ol
CID 103787440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine (CID 81332711) is 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine is COCC(C)CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is DWAOELAQFOACHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(9-17-2)8-16-14-6-11-3-4-13(15)5-12(11)7-14/h3-5,10,14,16H,6-9H2,1-2H3.
What are the key properties of 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 253.77 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-2-methylpropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81332711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).