(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride

C9H12ClNO2 — CID 171252096

IUPAC(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
SMILESCl.N[C@H]1CCOc2cc(O)ccc21
InChIInChI=1S/C9H11NO2.ClH/c10-8-3-4-12-9-5-6(11)1-2-7(8)9;/h1-2,5,8,11H,3-4,10H2;1H/t8-;/m0./s1
InChIKeyWAQVANKHSSPXOT-QRPNPIFTSA-N
MW201.65 g/mol
LogP1.60
Rot. Bonds

About (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride

(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride (PubChem CID 171252096) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
PubChem CID171252096
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
SMILESCl.N[C@H]1CCOc2cc(O)ccc21
InChIInChI=1S/C9H11NO2.ClH/c10-8-3-4-12-9-5-6(11)1-2-7(8)9;/h1-2,5,8,11H,3-4,10H2;1H/t8-;/m0./s1
InChIKeyWAQVANKHSSPXOT-QRPNPIFTSA-N
XLogP1.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-7-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844840
4-(hydroxymethyl)-3,4-dihydro-2H-chromen-7-ol
CID 105438603
7-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 55294378
(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
CID 131107943
4-amino-9-hydroxy-2,3,4,6-tetrahydro-1,6-benzoxazocin-5-one
CID 117246887
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43155060
(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
CID 130673761
7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 68934753
(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
CID 57429972
(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412144
4-hydroxy-5-[(4R)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-oxazol-2-one
CID 91586862

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride (CID 171252096) is (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride is Cl.N[C@H]1CCOc2cc(O)ccc21.
What is the InChIKey of (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride?
The InChIKey is WAQVANKHSSPXOT-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c10-8-3-4-12-9-5-6(11)1-2-7(8)9;/h1-2,5,8,11H,3-4,10H2;1H/t8-;/m0./s1.
What are the key properties of (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride?
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride is sourced from PubChem (CID 171252096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).