N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine

C14H19NO — CID 104584497

IUPACN-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOC1CC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19NO/c1-16-14-8-13(9-14)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,12-15H,6-9H2,1H3
InChIKeyPQLKAKYGKZKDIT-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.92
Rot. Bonds3

About N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine

N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 104584497) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID104584497
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine
SMILESCOC1CC(NC2Cc3ccccc3C2)C1
InChIInChI=1S/C14H19NO/c1-16-14-8-13(9-14)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,12-15H,6-9H2,1H3
InChIKeyPQLKAKYGKZKDIT-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
CID 104587846
N-(3-propan-2-ylcyclobutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103561864
4-N-(2,3-dihydro-1H-inden-2-yl)cyclohexane-1,4-diamine
CID 62313141
N-(2,3-dihydro-1H-inden-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43512924
N-(4-methylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223234
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
N-(2,3-dihydro-1H-inden-2-ylsulfamoylsulfamoyl)-2,3-dihydro-1H-inden-2-amine
CID 12823187
N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
CID 114008937
N-(3-propan-2-ylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107448472
benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
CID 107850007
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
CID 104584456

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine (CID 104584497) is N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine is COC1CC(NC2Cc3ccccc3C2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is PQLKAKYGKZKDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-16-14-8-13(9-14)15-12-6-10-4-2-3-5-11(10)7-12/h2-5,12-15H,6-9H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 217.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104584497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).