3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol

C14H19ClN2O2 — CID 106156934

IUPAC3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-9-10(6-7-18)16-8-13-14(15)11-4-2-3-5-12(11)17-13/h2-5,10,16-18H,6-9H2,1H3
InChIKeyLVJVHHGEJRABSA-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.31
Rot. Bonds7

About 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol

3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol (PubChem CID 106156934) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol
PubChem CID106156934
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-9-10(6-7-18)16-8-13-14(15)11-4-2-3-5-12(11)17-13/h2-5,10,16-18H,6-9H2,1H3
InChIKeyLVJVHHGEJRABSA-UHFFFAOYSA-N
XLogP2.31
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol (CID 106156934) is 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol is COCC(CCO)NCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol?
The InChIKey is LVJVHHGEJRABSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-9-10(6-7-18)16-8-13-14(15)11-4-2-3-5-12(11)17-13/h2-5,10,16-18H,6-9H2,1H3.
What are the key properties of 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol?
3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol has a molecular weight of 282.77 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-1H-indol-2-yl)methylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106156934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).