2-[(4-methylphenoxy)methyl]-1H-indol-5-amine

C16H16N2O — CID 117176790

IUPAC2-[(4-methylphenoxy)methyl]-1H-indol-5-amine
SMILESCc1ccc(OCc2cc3cc(N)ccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-11-2-5-15(6-3-11)19-10-14-9-12-8-13(17)4-7-16(12)18-14/h2-9,18H,10,17H2,1H3
InChIKeyPCPOMDXUOVBSNC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.64
Rot. Bonds3

About 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine

2-[(4-methylphenoxy)methyl]-1H-indol-5-amine (PubChem CID 117176790) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-1H-indol-5-amine
PubChem CID117176790
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[(4-methylphenoxy)methyl]-1H-indol-5-amine
SMILESCc1ccc(OCc2cc3cc(N)ccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O/c1-11-2-5-15(6-3-11)19-10-14-9-12-8-13(17)4-7-16(12)18-14/h2-9,18H,10,17H2,1H3
InChIKeyPCPOMDXUOVBSNC-UHFFFAOYSA-N
XLogP3.64
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methyl-1H-indol-2-yl)methoxy]phenol
CID 117185406
2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390
5-methyl-2-(pyridin-3-yloxymethyl)-1H-indole
CID 117185410
7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
CID 117176788
6-amino-3-methyl-1H-quinolin-2-one
CID 28809409
2-(5-ethoxy-1H-indol-2-yl)ethanamine
CID 83859527
2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
CID 54196890
4-[(2,4-dimethylphenyl)methoxy]aniline
CID 12822803

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine (CID 117176790) is 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine is Cc1ccc(OCc2cc3cc(N)ccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine?
The InChIKey is PCPOMDXUOVBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-2-5-15(6-3-11)19-10-14-9-12-8-13(17)4-7-16(12)18-14/h2-9,18H,10,17H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine?
2-[(4-methylphenoxy)methyl]-1H-indol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-1H-indol-5-amine is sourced from PubChem (CID 117176790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).