1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine

C17H16ClFN2 — CID 102856737

IUPAC1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C17H16ClFN2/c1-20-9-13-11-21(16-8-3-2-6-14(13)16)10-12-5-4-7-15(18)17(12)19/h2-8,11,20H,9-10H2,1H3
InChIKeyLQYUTPAWWHJPEC-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.20
Rot. Bonds4

About 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine

1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine (PubChem CID 102856737) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
PubChem CID102856737
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2cccc(Cl)c2F)c2ccccc12
InChIInChI=1S/C17H16ClFN2/c1-20-9-13-11-21(16-8-3-2-6-14(13)16)10-12-5-4-7-15(18)17(12)19/h2-8,11,20H,9-10H2,1H3
InChIKeyLQYUTPAWWHJPEC-UHFFFAOYSA-N
XLogP4.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66407982
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
(2R)-1-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826510
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 115983327
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine (CID 102856737) is 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine is CNCc1cn(Cc2cccc(Cl)c2F)c2ccccc12.
What is the InChIKey of 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine?
The InChIKey is LQYUTPAWWHJPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c1-20-9-13-11-21(16-8-3-2-6-14(13)16)10-12-5-4-7-15(18)17(12)19/h2-8,11,20H,9-10H2,1H3.
What are the key properties of 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine?
1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine has a molecular weight of 302.78 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-2-fluorophenyl)methyl]indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102856737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).