4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride

C10H14ClNO2 — CID 12914868

IUPAC4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
SMILESCl.NCC1(O)CCOc2ccccc21
InChIInChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H
InChIKeyRFCPZINYUKLKDH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.04
Rot. Bonds1

About 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride

4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride (PubChem CID 12914868) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
PubChem CID12914868
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
SMILESCl.NCC1(O)CCOc2ccccc21
InChIInChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H
InChIKeyRFCPZINYUKLKDH-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
4-(4-phenylphenyl)-2,3-dihydrochromen-4-ol
CID 164665329
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]propan-1-ol
CID 79138768
4-(aminomethyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol
CID 13339036
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
7-(aminomethyl)-6H-benzo[d][1]benzoxepin-7-ol
CID 159768943
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-propan-2-ylcyclobutan-1-ol
CID 103565551
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
The IUPAC name of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride (CID 12914868) is 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride is Cl.NCC1(O)CCOc2ccccc21.
What is the InChIKey of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
The InChIKey is RFCPZINYUKLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c11-7-10(12)5-6-13-9-4-2-1-3-8(9)10;/h1-4,12H,5-7,11H2;1H.
What are the key properties of 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride?
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride is sourced from PubChem (CID 12914868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).