N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride

C23H28ClFN2O2 — CID 19919970

IUPACN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCC(Cc1c(F)[nH]c2ccccc12)NCCOc1ccccc1OCC1CC1.Cl
InChIInChI=1S/C23H27FN2O2.ClH/c1-16(14-19-18-6-2-3-7-20(18)26-23(19)24)25-12-13-27-21-8-4-5-9-22(21)28-15-17-10-11-17;/h2-9,16-17,25-26H,10-15H2,1H3;1H
InChIKeyFAVIPAZEINDEKS-UHFFFAOYSA-N
MW418.94 g/mol
LogP5.12
Rot. Bonds10

About N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride

N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride (PubChem CID 19919970) has the molecular formula C23H28ClFN2O2 and a molecular weight of 418.94 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride
PubChem CID19919970
Molecular FormulaC23H28ClFN2O2
Molecular Weight418.94 g/mol
Exact Mass418.18
IUPAC NameN-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride
SMILESCC(Cc1c(F)[nH]c2ccccc12)NCCOc1ccccc1OCC1CC1.Cl
InChIInChI=1S/C23H27FN2O2.ClH/c1-16(14-19-18-6-2-3-7-20(18)26-23(19)24)25-12-13-27-21-8-4-5-9-22(21)28-15-17-10-11-17;/h2-9,16-17,25-26H,10-15H2,1H3;1H
InChIKeyFAVIPAZEINDEKS-UHFFFAOYSA-N
XLogP5.12
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride?
The IUPAC name of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride (CID 19919970) is N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride?
The canonical SMILES for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride is CC(Cc1c(F)[nH]c2ccccc12)NCCOc1ccccc1OCC1CC1.Cl.
What is the InChIKey of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride?
The InChIKey is FAVIPAZEINDEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2.ClH/c1-16(14-19-18-6-2-3-7-20(18)26-23(19)24)25-12-13-27-21-8-4-5-9-22(21)28-15-17-10-11-17;/h2-9,16-17,25-26H,10-15H2,1H3;1H.
What are the key properties of N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride?
N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride has a molecular weight of 418.94 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-1-(2-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride is sourced from PubChem (CID 19919970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).