3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine

C14H19NO — CID 61027220

IUPAC3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H19NO/c1-9-7-12(9)14(15)11-4-5-13-10(8-11)3-2-6-16-13/h4-5,8-9,12,14H,2-3,6-7,15H2,1H3
InChIKeyRXAQYYHGFXFCGH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.67
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine

3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine (PubChem CID 61027220) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
PubChem CID61027220
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H19NO/c1-9-7-12(9)14(15)11-4-5-13-10(8-11)3-2-6-16-13/h4-5,8-9,12,14H,2-3,6-7,15H2,1H3
InChIKeyRXAQYYHGFXFCGH-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine (CID 61027220) is 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine is CC1CC1C(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine?
The InChIKey is RXAQYYHGFXFCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-7-12(9)14(15)11-4-5-13-10(8-11)3-2-6-16-13/h4-5,8-9,12,14H,2-3,6-7,15H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine?
3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 61027220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).