N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride

C16H24ClNO — CID 46918543

IUPACN-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
SMILESCC(C)NCCc1ccc2c(c1)C=CC(C)(C)O2.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12(2)17-10-8-13-5-6-15-14(11-13)7-9-16(3,4)18-15;/h5-7,9,11-12,17H,8,10H2,1-4H3;1H
InChIKeyCQUFTYFONNVQAH-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride

N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride (PubChem CID 46918543) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
PubChem CID46918543
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
SMILESCC(C)NCCc1ccc2c(c1)C=CC(C)(C)O2.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12(2)17-10-8-13-5-6-15-14(11-13)7-9-16(3,4)18-15;/h5-7,9,11-12,17H,8,10H2,1-4H3;1H
InChIKeyCQUFTYFONNVQAH-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride (CID 46918543) is N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride is CC(C)NCCc1ccc2c(c1)C=CC(C)(C)O2.Cl.
What is the InChIKey of N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride?
The InChIKey is CQUFTYFONNVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-12(2)17-10-8-13-5-6-15-14(11-13)7-9-16(3,4)18-15;/h5-7,9,11-12,17H,8,10H2,1-4H3;1H.
What are the key properties of N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride?
N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 46918543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).