2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine

C19H22N2O — CID 117180699

IUPAC2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
SMILESCc1cccc(OCc2cc3ccc(N)cc3n2C(C)C)c1
InChIInChI=1S/C19H22N2O/c1-13(2)21-17(10-15-7-8-16(20)11-19(15)21)12-22-18-6-4-5-14(3)9-18/h4-11,13H,12,20H2,1-3H3
InChIKeyAHPPEUORAGVJLB-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.69
Rot. Bonds4

About 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine

2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine (PubChem CID 117180699) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
PubChem CID117180699
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
SMILESCc1cccc(OCc2cc3ccc(N)cc3n2C(C)C)c1
InChIInChI=1S/C19H22N2O/c1-13(2)21-17(10-15-7-8-16(20)11-19(15)21)12-22-18-6-4-5-14(3)9-18/h4-11,13H,12,20H2,1-3H3
InChIKeyAHPPEUORAGVJLB-UHFFFAOYSA-N
XLogP4.69
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
3-[(6-fluoro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180729
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
2-(ethoxymethyl)-6-methyl-1-propan-2-ylindole
CID 117186061
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
(6-methyl-1-propan-2-ylindol-2-yl)methanamine
CID 117122698
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
CID 46310633

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine (CID 117180699) is 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine is Cc1cccc(OCc2cc3ccc(N)cc3n2C(C)C)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
The InChIKey is AHPPEUORAGVJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)21-17(10-15-7-8-16(20)11-19(15)21)12-22-18-6-4-5-14(3)9-18/h4-11,13H,12,20H2,1-3H3.
What are the key properties of 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine?
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine has a molecular weight of 294.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine is sourced from PubChem (CID 117180699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).