N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine

C18H27FN2O — CID 166157920

IUPACN-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOc1cc(F)c2[nH]cc(CCN(CC(C)C)C(C)C)c2c1
InChIInChI=1S/C18H27FN2O/c1-12(2)11-21(13(3)4)7-6-14-10-20-18-16(14)8-15(22-5)9-17(18)19/h8-10,12-13,20H,6-7,11H2,1-5H3
InChIKeyCNAHZUOTVPVVRF-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.22
Rot. Bonds7

About N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 166157920) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID166157920
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCOc1cc(F)c2[nH]cc(CCN(CC(C)C)C(C)C)c2c1
InChIInChI=1S/C18H27FN2O/c1-12(2)11-21(13(3)4)7-6-14-10-20-18-16(14)8-15(22-5)9-17(18)19/h8-10,12-13,20H,6-7,11H2,1-5H3
InChIKeyCNAHZUOTVPVVRF-UHFFFAOYSA-N
XLogP4.22
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
CID 166158001
N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-1-amine
CID 166158101
7-fluoro-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-1H-indole
CID 166158095
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
2-(5-methoxy-7-nitro-1H-indol-3-yl)ethanamine
CID 10934571
3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
CID 82495071
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
CID 142573770
1-(2,6-difluoro-4-methoxyphenyl)-4-methylpentan-1-ol
CID 61100809

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 166157920) is N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine is COc1cc(F)c2[nH]cc(CCN(CC(C)C)C(C)C)c2c1.
What is the InChIKey of N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is CNAHZUOTVPVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-12(2)11-21(13(3)4)7-6-14-10-20-18-16(14)8-15(22-5)9-17(18)19/h8-10,12-13,20H,6-7,11H2,1-5H3.
What are the key properties of N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 306.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 166157920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).