2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine

C19H22N2O — CID 117173920

IUPAC2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
SMILESCc1ccc(OCc2cc3c(N)cccc3n2C(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-13(2)21-15(11-17-18(20)5-4-6-19(17)21)12-22-16-9-7-14(3)8-10-16/h4-11,13H,12,20H2,1-3H3
InChIKeyFCFVSMJPVXYNKL-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.69
Rot. Bonds4

About 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine

2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine (PubChem CID 117173920) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
PubChem CID117173920
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
SMILESCc1ccc(OCc2cc3c(N)cccc3n2C(C)C)cc1
InChIInChI=1S/C19H22N2O/c1-13(2)21-15(11-17-18(20)5-4-6-19(17)21)12-22-16-9-7-14(3)8-10-16/h4-11,13H,12,20H2,1-3H3
InChIKeyFCFVSMJPVXYNKL-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

4-[(4-amino-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117173954
2-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173824
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine (CID 117173920) is 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine is Cc1ccc(OCc2cc3c(N)cccc3n2C(C)C)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
The InChIKey is FCFVSMJPVXYNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)21-15(11-17-18(20)5-4-6-19(17)21)12-22-16-9-7-14(3)8-10-16/h4-11,13H,12,20H2,1-3H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine?
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-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-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine is sourced from PubChem (CID 117173920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).