[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol

C13H18N2O — CID 70472768

IUPAC[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol
SMILESCC(C)NCc1cc2c(CO)cccc2[nH]1
InChIInChI=1S/C13H18N2O/c1-9(2)14-7-11-6-12-10(8-16)4-3-5-13(12)15-11/h3-6,9,14-16H,7-8H2,1-2H3
InChIKeyBLPLZFOBRRYCNE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.16
Rot. Bonds4

About [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol

[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol (PubChem CID 70472768) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol
PubChem CID70472768
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol
SMILESCC(C)NCc1cc2c(CO)cccc2[nH]1
InChIInChI=1S/C13H18N2O/c1-9(2)14-7-11-6-12-10(8-16)4-3-5-13(12)15-11/h3-6,9,14-16H,7-8H2,1-2H3
InChIKeyBLPLZFOBRRYCNE-UHFFFAOYSA-N
XLogP2.16
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(hydroxymethyl)-1H-indol-2-yl]acetaldehyde
CID 151663676
[2-(trifluoromethyl)-1H-indol-4-yl]methanol
CID 84680774
(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol
CID 102058988
2-(methylaminomethyl)-1H-indol-4-amine
CID 117173105
N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine
CID 84626352
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(4-chloro-1H-indol-2-yl)methyl]hydroxylamine
CID 82606816
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
9H-carbazol-1-ylmethanol
CID 10987211
1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
CID 154122806
6-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702494
2-[2-(propan-2-ylamino)ethyl]-1H-indole-4,5-diol
CID 90364976

Frequently Asked Questions

What is the IUPAC name of [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol?
The IUPAC name of [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol (CID 70472768) is [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol.
What is the SMILES notation for [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol?
The canonical SMILES for [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol is CC(C)NCc1cc2c(CO)cccc2[nH]1.
What is the InChIKey of [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol?
The InChIKey is BLPLZFOBRRYCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)14-7-11-6-12-10(8-16)4-3-5-13(12)15-11/h3-6,9,14-16H,7-8H2,1-2H3.
What are the key properties of [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol?
[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol has a molecular weight of 218.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol is sourced from PubChem (CID 70472768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).