4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine

C23H23NOS — CID 141344324

IUPAC4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine
SMILESNCC(CCOc1cccc2c1Cc1ccccc1-2)Sc1ccccc1
InChIInChI=1S/C23H23NOS/c24-16-19(26-18-8-2-1-3-9-18)13-14-25-23-12-6-11-21-20-10-5-4-7-17(20)15-22(21)23/h1-12,19H,13-16,24H2
InChIKeyLAGXKEITQWDSBQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.15
Rot. Bonds7

About 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine

4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine (PubChem CID 141344324) has the molecular formula C23H23NOS and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine.

Molecular Properties

Compound Name4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine
PubChem CID141344324
Molecular FormulaC23H23NOS
Molecular Weight361.51 g/mol
Exact Mass361.15
IUPAC Name4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine
SMILESNCC(CCOc1cccc2c1Cc1ccccc1-2)Sc1ccccc1
InChIInChI=1S/C23H23NOS/c24-16-19(26-18-8-2-1-3-9-18)13-14-25-23-12-6-11-21-20-10-5-4-7-17(20)15-22(21)23/h1-12,19H,13-16,24H2
InChIKeyLAGXKEITQWDSBQ-UHFFFAOYSA-N
XLogP5.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9H-fluoren-1-yloxy)-2-phenylpropan-1-amine
CID 174662912
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1-(2-ethenylbut-3-enoxy)-9H-fluorene
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4-[2-(9H-fluoren-1-yl)phenoxy]butan-1-ol
CID 151570912
4-propoxy-10H-anthracen-9-one
CID 102119580
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
ethane-1,2-diamine;9H-fluorene
CID 159422270
2-[2-(9H-fluoren-1-yloxy)ethyl]-2-prop-2-enoylbutanedioic acid
CID 151615577
ethane;1-ethyl-9H-fluorene;propane
CID 167686584

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine?
The IUPAC name of 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine (CID 141344324) is 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine.
What is the SMILES notation for 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine?
The canonical SMILES for 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine is NCC(CCOc1cccc2c1Cc1ccccc1-2)Sc1ccccc1.
What is the InChIKey of 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine?
The InChIKey is LAGXKEITQWDSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NOS/c24-16-19(26-18-8-2-1-3-9-18)13-14-25-23-12-6-11-21-20-10-5-4-7-17(20)15-22(21)23/h1-12,19H,13-16,24H2.
What are the key properties of 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine?
4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine has a molecular weight of 361.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yloxy)-2-phenylsulfanylbutan-1-amine is sourced from PubChem (CID 141344324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).