(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine

C10H12ClNO2 — CID 130691735

IUPAC(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(Cl)c2c1[C@H](N)CCO2
InChIInChI=1S/C10H12ClNO2/c1-13-8-3-2-6(11)10-9(8)7(12)4-5-14-10/h2-3,7H,4-5,12H2,1H3/t7-/m1/s1
InChIKeyMZWLQFPHZCZTPG-SSDOTTSWSA-N
MW213.66 g/mol
LogP2.13
Rot. Bonds1

About (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130691735) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID130691735
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(Cl)c2c1[C@H](N)CCO2
InChIInChI=1S/C10H12ClNO2/c1-13-8-3-2-6(11)10-9(8)7(12)4-5-14-10/h2-3,7H,4-5,12H2,1H3/t7-/m1/s1
InChIKeyMZWLQFPHZCZTPG-SSDOTTSWSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130615757
(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 130706327
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
CID 130044464
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 79416481
(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 131151157
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301

Frequently Asked Questions

What is the IUPAC name of (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 130691735) is (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc(Cl)c2c1[C@H](N)CCO2.
What is the InChIKey of (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MZWLQFPHZCZTPG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-13-8-3-2-6(11)10-9(8)7(12)4-5-14-10/h2-3,7H,4-5,12H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 213.66 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130691735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).