N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine

C20H23ClN2O — CID 21482830

IUPACN-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2c3ccccc3Oc3c(Cl)cccc32)C1
InChIInChI=1S/C20H23ClN2O/c1-2-23-12-6-7-14(13-23)22-19-15-8-3-4-11-18(15)24-20-16(19)9-5-10-17(20)21/h3-5,8-11,14,19,22H,2,6-7,12-13H2,1H3
InChIKeyJSSOBUVDHPCIGX-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.61
Rot. Bonds3

About N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine

N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine (PubChem CID 21482830) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
PubChem CID21482830
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2c3ccccc3Oc3c(Cl)cccc32)C1
InChIInChI=1S/C20H23ClN2O/c1-2-23-12-6-7-14(13-23)22-19-15-8-3-4-11-18(15)24-20-16(19)9-5-10-17(20)21/h3-5,8-11,14,19,22H,2,6-7,12-13H2,1H3
InChIKeyJSSOBUVDHPCIGX-UHFFFAOYSA-N
XLogP4.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine 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

1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
CID 21482838
N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482821
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
2-amino-6-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 55244136
2-chloro-6-[(1-ethylpiperidin-3-yl)amino]benzenecarbothioamide
CID 62496167
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61169201
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 61171918
4-chloro-N-(1-ethylpiperidin-3-yl)phthalazin-1-amine
CID 62142127

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine (CID 21482830) is N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine is CCN1CCCC(NC2c3ccccc3Oc3c(Cl)cccc32)C1.
What is the InChIKey of N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
The InChIKey is JSSOBUVDHPCIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-2-23-12-6-7-14(13-23)22-19-15-8-3-4-11-18(15)24-20-16(19)9-5-10-17(20)21/h3-5,8-11,14,19,22H,2,6-7,12-13H2,1H3.
What are the key properties of N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine?
N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine has a molecular weight of 342.87 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 21482830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).