2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol

C13H18ClNO2 — CID 117097089

IUPAC2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
SMILESCC1(C)CCc2c(ccc(C(O)CN)c2Cl)O1
InChIInChI=1S/C13H18ClNO2/c1-13(2)6-5-9-11(17-13)4-3-8(12(9)14)10(16)7-15/h3-4,10,16H,5-7,15H2,1-2H3
InChIKeyKIGQVVFKBIJMJM-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.44
Rot. Bonds2

About 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol

2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol (PubChem CID 117097089) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
PubChem CID117097089
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol
SMILESCC1(C)CCc2c(ccc(C(O)CN)c2Cl)O1
InChIInChI=1S/C13H18ClNO2/c1-13(2)6-5-9-11(17-13)4-3-8(12(9)14)10(16)7-15/h3-4,10,16H,5-7,15H2,1-2H3
InChIKeyKIGQVVFKBIJMJM-UHFFFAOYSA-N
XLogP2.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)ethanol
CID 117097087
5-bromo-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 101113077
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2-(4-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanamine
CID 117097115
3-amino-1-(2,2-dimethyl-3,4-dihydrochromen-8-yl)propan-1-ol
CID 84698810
1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)butan-1-one
CID 15587474
3-amino-2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propanoic acid
CID 117376382
2-amino-1-(2,2-dimethyl-3,4-dihydrochromen-6-yl)propan-1-one
CID 84696853
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
(5-chloro-2,2-dimethyl-3H-1-benzofuran-4-yl)methanol
CID 58566665
2-(2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-7-yl)propan-1-amine
CID 117096978
2-amino-1-(4-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-one
CID 117097034

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
The IUPAC name of 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol (CID 117097089) is 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol is CC1(C)CCc2c(ccc(C(O)CN)c2Cl)O1.
What is the InChIKey of 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
The InChIKey is KIGQVVFKBIJMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2)6-5-9-11(17-13)4-3-8(12(9)14)10(16)7-15/h3-4,10,16H,5-7,15H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol?
2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanol is sourced from PubChem (CID 117097089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).