(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine

C13H19NO — CID 42129765

IUPAC(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
SMILESC[C@@H](N)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C13H19NO/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m1/s1
InChIKeyNXUPNYBPMJGZJA-SECBINFHSA-N
MW205.30 g/mol
LogP2.81
Rot. Bonds1

About (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine

(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine (PubChem CID 42129765) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
PubChem CID42129765
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
SMILESC[C@@H](N)c1ccc2c(c1)CCC(C)(C)O2
InChIInChI=1S/C13H19NO/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m1/s1
InChIKeyNXUPNYBPMJGZJA-SECBINFHSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)propan-1-amine
CID 117096978
3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)butanoic acid
CID 117097127
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 143131950
2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
(2R)-2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-methoxyacetic acid
CID 129394553
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2-amino-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propanoic acid
CID 117376321
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
(2S)-2-ethenyl-2-methyl-6-propan-2-yl-3,4-dihydrochromene
CID 102455266
CID 68879023
CID 68879023

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
The IUPAC name of (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine (CID 42129765) is (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
The canonical SMILES for (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine is C[C@@H](N)c1ccc2c(c1)CCC(C)(C)O2.
What is the InChIKey of (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
The InChIKey is NXUPNYBPMJGZJA-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-5,8-9H,6-7,14H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
(1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine is sourced from PubChem (CID 42129765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).