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

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

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Related Compounds

(2R)-2-[(3-chloro-1H-indol-2-yl)methylamino]-2-phenylethanol
CID 107862609
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401552
(1S)-1-(2-bromophenyl)-N-[(3-chloro-1H-indol-2-yl)methyl]ethanamine
CID 81378563
(1R)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81346935
2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
CID 64550785
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282142
3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzene-1,2-diol
CID 113357879
3-[(2-chloro-4-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103793171
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
(1S)-N-[(3-chloro-1H-indol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 81407475

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).