1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine

C18H18F2N2 — CID 134357248

IUPAC1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
SMILESCNCc1c[nH]c2cc(Cc3ccc(C)c(F)c3F)ccc12
InChIInChI=1S/C18H18F2N2/c1-11-3-5-13(18(20)17(11)19)7-12-4-6-15-14(9-21-2)10-22-16(15)8-12/h3-6,8,10,21-22H,7,9H2,1-2H3
InChIKeyDKIBYEQIWQKZRS-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.06
Rot. Bonds4

About 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine

1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine (PubChem CID 134357248) has the molecular formula C18H18F2N2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
PubChem CID134357248
Molecular FormulaC18H18F2N2
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
SMILESCNCc1c[nH]c2cc(Cc3ccc(C)c(F)c3F)ccc12
InChIInChI=1S/C18H18F2N2/c1-11-3-5-13(18(20)17(11)19)7-12-4-6-15-14(9-21-2)10-22-16(15)8-12/h3-6,8,10,21-22H,7,9H2,1-2H3
InChIKeyDKIBYEQIWQKZRS-UHFFFAOYSA-N
XLogP4.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(methylaminomethyl)-1H-indol-6-yl]methanamine
CID 117178238
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
1-[6-[(2-chloro-6-methoxy-3-pyridinyl)methyl]-1H-indol-3-yl]-N-methylmethanamine
CID 134357262
N-methyl-1-(3-methyl-1H-indol-6-yl)methanamine
CID 117205001
2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273654
3-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)-1H-indol-6-amine
CID 134357602
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
1-[6-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]-N-methylmethanamine;pyridine-3-thiol
CID 144821384
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
1-[6-(3-chlorophenyl)-1H-indol-3-yl]-N-methylmethanamine
CID 134357369
6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
CID 175085793

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine (CID 134357248) is 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine is CNCc1c[nH]c2cc(Cc3ccc(C)c(F)c3F)ccc12.
What is the InChIKey of 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
The InChIKey is DKIBYEQIWQKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2/c1-11-3-5-13(18(20)17(11)19)7-12-4-6-15-14(9-21-2)10-22-16(15)8-12/h3-6,8,10,21-22H,7,9H2,1-2H3.
What are the key properties of 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine?
1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine has a molecular weight of 300.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2,3-difluoro-4-methylphenyl)methyl]-1H-indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 134357248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).