N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine

C18H19NO2 — CID 43344208

IUPACN-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2NCC1CCCO1
InChIInChI=1S/C18H19NO2/c1-3-9-16-14(7-1)18(19-12-13-6-5-11-20-13)15-8-2-4-10-17(15)21-16/h1-4,7-10,13,18-19H,5-6,11-12H2
InChIKeyPDIKELNGSUDELH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.65
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine

N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine (PubChem CID 43344208) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
PubChem CID43344208
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2NCC1CCCO1
InChIInChI=1S/C18H19NO2/c1-3-9-16-14(7-1)18(19-12-13-6-5-11-20-13)15-8-2-4-10-17(15)21-16/h1-4,7-10,13,18-19H,5-6,11-12H2
InChIKeyPDIKELNGSUDELH-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxolan-2-ylmethyl)-9H-xanthen-9-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

N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
2-chloro-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024858
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 61151159
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
4-(oxolan-2-ylmethylamino)-1H-quinazoline-2-thione
CID 23827546
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
4-(4-chlorophenyl)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydrophthalazin-1-amine
CID 167041325
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30982606
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106
1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-phenylthiourea
CID 8620096

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine (CID 43344208) is N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine is c1ccc2c(c1)Oc1ccccc1C2NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine?
The InChIKey is PDIKELNGSUDELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-9-16-14(7-1)18(19-12-13-6-5-11-20-13)15-8-2-4-10-17(15)21-16/h1-4,7-10,13,18-19H,5-6,11-12H2.
What are the key properties of N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine?
N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine has a molecular weight of 281.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine is sourced from PubChem (CID 43344208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).