3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol

C13H20N2O — CID 80650053

IUPAC3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cccc2c1NCC2
InChIInChI=1S/C13H20N2O/c1-10(9-16)7-14-8-12-4-2-3-11-5-6-15-13(11)12/h2-4,10,14-16H,5-9H2,1H3
InChIKeyFEOCWXOLVFZXSH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.37
Rot. Bonds5

About 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol

3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol (PubChem CID 80650053) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
PubChem CID80650053
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cccc2c1NCC2
InChIInChI=1S/C13H20N2O/c1-10(9-16)7-14-8-12-4-2-3-11-5-6-15-13(11)12/h2-4,10,14-16H,5-9H2,1H3
InChIKeyFEOCWXOLVFZXSH-UHFFFAOYSA-N
XLogP1.37
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
CID 80645613
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 114093179
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 80649895
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
CID 80649036
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol (CID 80650053) is 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol is CC(CO)CNCc1cccc2c1NCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol?
The InChIKey is FEOCWXOLVFZXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(9-16)7-14-8-12-4-2-3-11-5-6-15-13(11)12/h2-4,10,14-16H,5-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol?
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 80650053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).