N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine

C19H22N2O — CID 82538568

IUPACN-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
SMILESCC(C)(C)Oc1ccc(CNc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C19H22N2O/c1-19(2,3)22-17-7-4-14(5-8-17)13-21-16-6-9-18-15(12-16)10-11-20-18/h4-12,20-21H,13H2,1-3H3
InChIKeyOQLZASVWINHCFX-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.96
Rot. Bonds4

About N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine

N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine (PubChem CID 82538568) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
PubChem CID82538568
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
SMILESCC(C)(C)Oc1ccc(CNc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C19H22N2O/c1-19(2,3)22-17-7-4-14(5-8-17)13-21-16-6-9-18-15(12-16)10-11-20-18/h4-12,20-21H,13H2,1-3H3
InChIKeyOQLZASVWINHCFX-UHFFFAOYSA-N
XLogP4.96
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
3,4-difluoro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538570
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577
2-[4-[2-(1H-indol-5-ylamino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
CID 175488495
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
3-chloro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538574
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine?
The IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine (CID 82538568) is N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine.
What is the SMILES notation for N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine?
The canonical SMILES for N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine is CC(C)(C)Oc1ccc(CNc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine?
The InChIKey is OQLZASVWINHCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2,3)22-17-7-4-14(5-8-17)13-21-16-6-9-18-15(12-16)10-11-20-18/h4-12,20-21H,13H2,1-3H3.
What are the key properties of N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine?
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine has a molecular weight of 294.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine is sourced from PubChem (CID 82538568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).