4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol

C13H20N2O — CID 106840914

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
SMILESOCCCCNCc1cccc2c1NCC2
InChIInChI=1S/C13H20N2O/c16-9-2-1-7-14-10-12-5-3-4-11-6-8-15-13(11)12/h3-5,14-16H,1-2,6-10H2
InChIKeyJTAUANOIGKJRDE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds6

About 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol

4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol (PubChem CID 106840914) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
PubChem CID106840914
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
SMILESOCCCCNCc1cccc2c1NCC2
InChIInChI=1S/C13H20N2O/c16-9-2-1-7-14-10-12-5-3-4-11-6-8-15-13(11)12/h3-5,14-16H,1-2,6-10H2
InChIKeyJTAUANOIGKJRDE-UHFFFAOYSA-N
XLogP1.52
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-indol-7-ylmethylamino)butanoic acid
CID 80649501
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 80650038
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
CID 80649994
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
CID 80649036
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 80649056

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol (CID 106840914) is 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol is OCCCCNCc1cccc2c1NCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol?
The InChIKey is JTAUANOIGKJRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-9-2-1-7-14-10-12-5-3-4-11-6-8-15-13(11)12/h3-5,14-16H,1-2,6-10H2.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol?
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol is sourced from PubChem (CID 106840914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).