4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol

C12H17NO2 — CID 82077489

IUPAC4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol
SMILESCc1ccc2c(c1C)OCCC2(O)CN
InChIInChI=1S/C12H17NO2/c1-8-3-4-10-11(9(8)2)15-6-5-12(10,14)7-13/h3-4,14H,5-7,13H2,1-2H3
InChIKeyBEWYHBBTDDDQMM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.23
Rot. Bonds1

About 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol

4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol (PubChem CID 82077489) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol
PubChem CID82077489
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol
SMILESCc1ccc2c(c1C)OCCC2(O)CN
InChIInChI=1S/C12H17NO2/c1-8-3-4-10-11(9(8)2)15-6-5-12(10,14)7-13/h3-4,14H,5-7,13H2,1-2H3
InChIKeyBEWYHBBTDDDQMM-UHFFFAOYSA-N
XLogP1.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol 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

(8,9-dimethyl-5-morpholin-4-yl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82250689
methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate
CID 82046154
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
6-methyl-2-N-[(4R)-4,7,8-trimethyl-2,3-dihydrochromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 70928517
(5,9-dimethyl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82241430
1-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117314195
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683
[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408843
5-[3-(dimethylamino)propyl]-8,9-dimethyl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82249935

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol?
The IUPAC name of 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol (CID 82077489) is 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol.
What is the SMILES notation for 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol?
The canonical SMILES for 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol is Cc1ccc2c(c1C)OCCC2(O)CN.
What is the InChIKey of 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol?
The InChIKey is BEWYHBBTDDDQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-4-10-11(9(8)2)15-6-5-12(10,14)7-13/h3-4,14H,5-7,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol?
4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7,8-dimethyl-2,3-dihydrochromen-4-ol is sourced from PubChem (CID 82077489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).