1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine

C18H20N2O — CID 10564721

IUPAC1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H20N2O/c1-13(19)9-16-10-15-11-17(7-8-18(15)20-16)21-12-14-5-3-2-4-6-14/h2-8,10-11,13,20H,9,12,19H2,1H3
InChIKeyBSBNUUVFCVZNRZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.64
Rot. Bonds5

About 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine

1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine (PubChem CID 10564721) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
PubChem CID10564721
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H20N2O/c1-13(19)9-16-10-15-11-17(7-8-18(15)20-16)21-12-14-5-3-2-4-6-14/h2-8,10-11,13,20H,9,12,19H2,1H3
InChIKeyBSBNUUVFCVZNRZ-UHFFFAOYSA-N
XLogP3.64
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
N-methyl-N-[1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-yl]buta-2,3-dien-1-amine
CID 10521534
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
5-phenylmethoxy-2-propoxy-1H-indole
CID 151538403
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-[2-[2-[4-(4-phenylmethoxyphenoxy)-2-propylphenoxy]ethyl]-1H-indol-5-yl]ethane-1,1-diol
CID 54369711
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
5-phenylmethoxy-2-pyridin-2-yl-1H-indole
CID 44556831
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
2-(2-methoxyphenyl)-2-(5-phenylmethoxy-1H-indol-2-yl)acetaldehyde
CID 141043698

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine?
The IUPAC name of 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine (CID 10564721) is 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine is CC(N)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine?
The InChIKey is BSBNUUVFCVZNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(19)9-16-10-15-11-17(7-8-18(15)20-16)21-12-14-5-3-2-4-6-14/h2-8,10-11,13,20H,9,12,19H2,1H3.
What are the key properties of 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine?
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine has a molecular weight of 280.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine is sourced from PubChem (CID 10564721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).