(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride

C12H18ClNO — CID 119031548

IUPAC(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride
SMILESCCC1(CN)OCCc2ccccc21.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-12(9-13)11-6-4-3-5-10(11)7-8-14-12;/h3-6H,2,7-9,13H2,1H3;1H
InChIKeyJOODHSIPRYLIFD-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.25
Rot. Bonds2

About (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride

(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride (PubChem CID 119031548) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride
PubChem CID119031548
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride
SMILESCCC1(CN)OCCc2ccccc21.Cl
InChIInChI=1S/C12H17NO.ClH/c1-2-12(9-13)11-6-4-3-5-10(11)7-8-14-12;/h3-6H,2,7-9,13H2,1H3;1H
InChIKeyJOODHSIPRYLIFD-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;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

(3,4-dihydro-1H-isochromen-1-ylmethyl)amine
CID 209070
1H-2-Benzopyran-1-methanamine, 3,4-dihydro-N-methyl-
CID 421184
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
CID 2836274
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-2-phenylethan-1-amine
CID 409782
2-Methyl-2-phenylmorpholine
CID 3066037
Fenisorex
CID 10377759
3-[1-(aminomethyl)-3,4-dihydroisochromen-1-yl]-N,N-diethylpropan-1-amine;hydrochloride
CID 6603038
2-Methyl-2-phenylmorpholine hydrochloride
CID 3066036
[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl](methyl)amine hydrochloride
CID 24192019
3,4-Dihydrospiro[2-benzopyran-1,4'-piperidine]
CID 15187050
(2-((Propan-2-yloxy)methyl)phenyl)methanamine
CID 18070374

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride?
The IUPAC name of (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride (CID 119031548) is (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride?
The canonical SMILES for (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride is CCC1(CN)OCCc2ccccc21.Cl.
What is the InChIKey of (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride?
The InChIKey is JOODHSIPRYLIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-2-12(9-13)11-6-4-3-5-10(11)7-8-14-12;/h3-6H,2,7-9,13H2,1H3;1H.
What are the key properties of (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride?
(1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride has a molecular weight of 227.73 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,4-dihydroisochromen-1-yl)methanamine;hydrochloride is sourced from PubChem (CID 119031548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).