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

C14H19ClN2O — CID 64550785

IUPAC2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H19ClN2O/c1-3-14(2,9-18)16-8-12-13(15)10-6-4-5-7-11(10)17-12/h4-7,16-18H,3,8-9H2,1-2H3
InChIKeyAUDSKRAHUDYPCM-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.07
Rot. Bonds5

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

2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol (PubChem CID 64550785) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
PubChem CID64550785
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C14H19ClN2O/c1-3-14(2,9-18)16-8-12-13(15)10-6-4-5-7-11(10)17-12/h4-7,16-18H,3,8-9H2,1-2H3
InChIKeyAUDSKRAHUDYPCM-UHFFFAOYSA-N
XLogP3.07
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol (CID 64550785) is 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol?
The InChIKey is AUDSKRAHUDYPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-14(2,9-18)16-8-12-13(15)10-6-4-5-7-11(10)17-12/h4-7,16-18H,3,8-9H2,1-2H3.
What are the key properties of 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol?
2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol has a molecular weight of 266.77 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-1H-indol-2-yl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 64550785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).