1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine

C21H22FN — CID 174476803

IUPAC1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine
SMILESCC(N)CC1C=CC=c2c1ccc1c3c(cc(F)c21)CCCC=3
InChIInChI=1S/C21H22FN/c1-13(23)11-14-6-4-8-18-17(14)9-10-19-16-7-3-2-5-15(16)12-20(22)21(18)19/h4,6-10,12-14H,2-3,5,11,23H2,1H3
InChIKeyRDLTWVKFNKWJLL-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.27
Rot. Bonds2

About 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine

1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine (PubChem CID 174476803) has the molecular formula C21H22FN and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine
PubChem CID174476803
Molecular FormulaC21H22FN
Molecular Weight307.41 g/mol
Exact Mass307.17
IUPAC Name1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine
SMILESCC(N)CC1C=CC=c2c1ccc1c3c(cc(F)c21)CCCC=3
InChIInChI=1S/C21H22FN/c1-13(23)11-14-6-4-8-18-17(14)9-10-19-16-7-3-2-5-15(16)12-20(22)21(18)19/h4,6-10,12-14H,2-3,5,11,23H2,1H3
InChIKeyRDLTWVKFNKWJLL-UHFFFAOYSA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine 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 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine?
The IUPAC name of 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine (CID 174476803) is 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine is CC(N)CC1C=CC=c2c1ccc1c3c(cc(F)c21)CCCC=3.
What is the InChIKey of 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine?
The InChIKey is RDLTWVKFNKWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN/c1-13(23)11-14-6-4-8-18-17(14)9-10-19-16-7-3-2-5-15(16)12-20(22)21(18)19/h4,6-10,12-14H,2-3,5,11,23H2,1H3.
What are the key properties of 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine?
1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine has a molecular weight of 307.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,7,8,9-tetrahydrochrysen-1-yl)propan-2-amine is sourced from PubChem (CID 174476803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).