1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol

C15H22N2O — CID 110928680

IUPAC1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O/c1-11(2)8-13(18)10-16-9-12-4-3-5-15-14(12)6-7-17-15/h3-7,11,13,16-18H,8-10H2,1-2H3
InChIKeyPMGVIJQPPBUPEY-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds6

About 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol

1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol (PubChem CID 110928680) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
PubChem CID110928680
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C15H22N2O/c1-11(2)8-13(18)10-16-9-12-4-3-5-15-14(12)6-7-17-15/h3-7,11,13,16-18H,8-10H2,1-2H3
InChIKeyPMGVIJQPPBUPEY-UHFFFAOYSA-N
XLogP2.66
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 111118493
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-4-ylmethylamino)propan-2-ol
CID 124702475
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 166727731
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol (CID 110928680) is 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol is CC(C)CC(O)CNCc1cccc2[nH]ccc12.
What is the InChIKey of 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol?
The InChIKey is PMGVIJQPPBUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)8-13(18)10-16-9-12-4-3-5-15-14(12)6-7-17-15/h3-7,11,13,16-18H,8-10H2,1-2H3.
What are the key properties of 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol?
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 110928680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).