(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine

C17H17FN2 — CID 102911546

IUPAC(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2cc[nH]c2c1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2/c1-12(15-3-2-4-16(18)10-15)20-11-13-5-6-14-7-8-19-17(14)9-13/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1
InChIKeyNRBMZVREWVRALO-LBPRGKRZSA-N
MW268.34 g/mol
LogP4.16
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine

(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine (PubChem CID 102911546) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
PubChem CID102911546
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccc2cc[nH]c2c1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2/c1-12(15-3-2-4-16(18)10-15)20-11-13-5-6-14-7-8-19-17(14)9-13/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1
InChIKeyNRBMZVREWVRALO-LBPRGKRZSA-N
XLogP4.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909354
N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102910050
(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 102911336
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81368969
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine (CID 102911546) is (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine is C[C@H](NCc1ccc2cc[nH]c2c1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
The InChIKey is NRBMZVREWVRALO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17FN2/c1-12(15-3-2-4-16(18)10-15)20-11-13-5-6-14-7-8-19-17(14)9-13/h2-10,12,19-20H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine?
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine has a molecular weight of 268.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine is sourced from PubChem (CID 102911546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).