N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine

C18H21FN2O — CID 143717963

IUPACN-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine
SMILESCC(CF)NCCCOc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H21FN2O/c1-13(12-19)20-10-5-11-22-17-9-4-8-16-18(17)14-6-2-3-7-15(14)21-16/h2-4,6-9,13,20-21H,5,10-12H2,1H3
InChIKeySKCZEAOSTPGUBE-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.04
Rot. Bonds7

About N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine

N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine (PubChem CID 143717963) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine.

Molecular Properties

Compound NameN-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine
PubChem CID143717963
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine
SMILESCC(CF)NCCCOc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H21FN2O/c1-13(12-19)20-10-5-11-22-17-9-4-8-16-18(17)14-6-2-3-7-15(14)21-16/h2-4,6-9,13,20-21H,5,10-12H2,1H3
InChIKeySKCZEAOSTPGUBE-UHFFFAOYSA-N
XLogP4.04
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine?
The IUPAC name of N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine (CID 143717963) is N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine.
What is the SMILES notation for N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine?
The canonical SMILES for N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine is CC(CF)NCCCOc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine?
The InChIKey is SKCZEAOSTPGUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13(12-19)20-10-5-11-22-17-9-4-8-16-18(17)14-6-2-3-7-15(14)21-16/h2-4,6-9,13,20-21H,5,10-12H2,1H3.
What are the key properties of N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine?
N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine has a molecular weight of 300.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine is sourced from PubChem (CID 143717963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).