2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine

C15H21NO — CID 103163028

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
SMILESNC(CC1CCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21NO/c16-14(9-11-3-1-4-11)12-6-7-15-13(10-12)5-2-8-17-15/h6-7,10-11,14H,1-5,8-9,16H2
InChIKeyNNJACGGJKQATIH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.20
Rot. Bonds3

About 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine

2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine (PubChem CID 103163028) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
PubChem CID103163028
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
SMILESNC(CC1CCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21NO/c16-14(9-11-3-1-4-11)12-6-7-15-13(10-12)5-2-8-17-15/h6-7,10-11,14H,1-5,8-9,16H2
InChIKeyNNJACGGJKQATIH-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
CID 115846820
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
CID 61027220

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine (CID 103163028) is 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine is NC(CC1CCC1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
The InChIKey is NNJACGGJKQATIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-14(9-11-3-1-4-11)12-6-7-15-13(10-12)5-2-8-17-15/h6-7,10-11,14H,1-5,8-9,16H2.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine?
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine is sourced from PubChem (CID 103163028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).