N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine

C20H23FN2O — CID 124788822

IUPACN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H23FN2O/c1-24-12-4-11-22-13-17-15-23(20-6-3-2-5-19(17)20)14-16-7-9-18(21)10-8-16/h2-3,5-10,15,22H,4,11-14H2,1H3
InChIKeyANDYKVMVQCTXHY-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.95
Rot. Bonds8

About N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 124788822) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
PubChem CID124788822
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C20H23FN2O/c1-24-12-4-11-22-13-17-15-23(20-6-3-2-5-19(17)20)14-16-7-9-18(21)10-8-16/h2-3,5-10,15,22H,4,11-14H2,1H3
InChIKeyANDYKVMVQCTXHY-UHFFFAOYSA-N
XLogP3.95
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-[3-[(3-methoxypropylamino)methyl]indol-1-yl]acetic acid
CID 102535959
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 124869723
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 41109005
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[(1-ethylindol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843757

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine (CID 124788822) is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine is COCCCNCc1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is ANDYKVMVQCTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-24-12-4-11-22-13-17-15-23(20-6-3-2-5-19(17)20)14-16-7-9-18(21)10-8-16/h2-3,5-10,15,22H,4,11-14H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine?
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine has a molecular weight of 326.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 124788822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).