1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine

C16H15FN2O — CID 43308823

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
SMILESCOc1ccc(Cn2ccc3ccc(N)cc32)cc1F
InChIInChI=1S/C16H15FN2O/c1-20-16-5-2-11(8-14(16)17)10-19-7-6-12-3-4-13(18)9-15(12)19/h2-9H,10,18H2,1H3
InChIKeySCKWVDVNPSAAQP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.42
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine

1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine (PubChem CID 43308823) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
PubChem CID43308823
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
SMILESCOc1ccc(Cn2ccc3ccc(N)cc32)cc1F
InChIInChI=1S/C16H15FN2O/c1-20-16-5-2-11(8-14(16)17)10-19-7-6-12-3-4-13(18)9-15(12)19/h2-9H,10,18H2,1H3
InChIKeySCKWVDVNPSAAQP-UHFFFAOYSA-N
XLogP3.42
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
5-[(6-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880798
1-benzylindol-6-amine
CID 69325204
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
CID 103428306
1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
CID 22256781
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
1-[(2-fluorophenyl)methyl]indol-6-amine
CID 43308904
1-(methoxymethyl)indol-6-amine
CID 65365107
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
1-[(3-fluoro-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107919109
4-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 43299370

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine (CID 43308823) is 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine is COc1ccc(Cn2ccc3ccc(N)cc32)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine?
The InChIKey is SCKWVDVNPSAAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-16-5-2-11(8-14(16)17)10-19-7-6-12-3-4-13(18)9-15(12)19/h2-9H,10,18H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine?
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine has a molecular weight of 270.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine is sourced from PubChem (CID 43308823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).