N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride

C23H30ClNO — CID 90197886

IUPACN-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCCC1(NCc2ccc3c(c2)CCC(C)(C)O3)CC1c1ccccc1.Cl
InChIInChI=1S/C23H29NO.ClH/c1-4-23(15-20(23)18-8-6-5-7-9-18)24-16-17-10-11-21-19(14-17)12-13-22(2,3)25-21;/h5-11,14,20,24H,4,12-13,15-16H2,1-3H3;1H
InChIKeyQVIQCPKRLKUIEL-UHFFFAOYSA-N
MW371.95 g/mol
LogP5.64
Rot. Bonds5

About N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride

N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 90197886) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID90197886
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC NameN-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCCC1(NCc2ccc3c(c2)CCC(C)(C)O3)CC1c1ccccc1.Cl
InChIInChI=1S/C23H29NO.ClH/c1-4-23(15-20(23)18-8-6-5-7-9-18)24-16-17-10-11-21-19(14-17)12-13-22(2,3)25-21;/h5-11,14,20,24H,4,12-13,15-16H2,1-3H3;1H
InChIKeyQVIQCPKRLKUIEL-UHFFFAOYSA-N
XLogP5.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.95
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-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-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride (CID 90197886) is N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride is CCC1(NCc2ccc3c(c2)CCC(C)(C)O3)CC1c1ccccc1.Cl.
What is the InChIKey of N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is QVIQCPKRLKUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO.ClH/c1-4-23(15-20(23)18-8-6-5-7-9-18)24-16-17-10-11-21-19(14-17)12-13-22(2,3)25-21;/h5-11,14,20,24H,4,12-13,15-16H2,1-3H3;1H.
What are the key properties of N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 371.95 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).