N-propan-2-yl-9H-xanthen-9-amine

C16H17NO — CID 43344196

IUPACN-propan-2-yl-9H-xanthen-9-amine
SMILESCC(C)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H17NO/c1-11(2)17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-11,16-17H,1-2H3
InChIKeySYDIAPPYSCDMGX-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.88
Rot. Bonds2

About N-propan-2-yl-9H-xanthen-9-amine

N-propan-2-yl-9H-xanthen-9-amine (PubChem CID 43344196) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-propan-2-yl-9H-xanthen-9-amine.

Molecular Properties

Compound NameN-propan-2-yl-9H-xanthen-9-amine
PubChem CID43344196
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-propan-2-yl-9H-xanthen-9-amine
SMILESCC(C)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C16H17NO/c1-11(2)17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-11,16-17H,1-2H3
InChIKeySYDIAPPYSCDMGX-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pentan-2-yl-9H-xanthen-9-amine
CID 43344204
1-(9H-xanthen-9-ylamino)propan-2-ol
CID 43499245
N-[(2-methylpropan-2-yl)oxy]-9H-xanthen-9-amine
CID 82720579
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
CID 23562247
2-methyl-1-(9H-xanthen-9-yl)propan-1-one
CID 79299133
N-[2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]propan-2-amine
CID 3067379
N-prop-2-enyl-9H-xanthen-9-amine
CID 43344194
9H-xanthen-9-ylazanium
CID 51652356
9-methyl-9H-xanthene;propane
CID 143256907
1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482845
N-[4-methyl-2-(9H-xanthen-9-yl)phenyl]-9H-xanthen-9-amine
CID 146018624

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-9H-xanthen-9-amine?
The IUPAC name of N-propan-2-yl-9H-xanthen-9-amine (CID 43344196) is N-propan-2-yl-9H-xanthen-9-amine.
What is the SMILES notation for N-propan-2-yl-9H-xanthen-9-amine?
The canonical SMILES for N-propan-2-yl-9H-xanthen-9-amine is CC(C)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-propan-2-yl-9H-xanthen-9-amine?
The InChIKey is SYDIAPPYSCDMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(2)17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h3-11,16-17H,1-2H3.
What are the key properties of N-propan-2-yl-9H-xanthen-9-amine?
N-propan-2-yl-9H-xanthen-9-amine has a molecular weight of 239.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-9H-xanthen-9-amine is sourced from PubChem (CID 43344196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).