(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine

C18H20N2O — CID 129363588

IUPAC(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
SMILESC[C@@H](N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H20N2O/c1-13(19)9-15-11-20-18-8-7-16(10-17(15)18)21-12-14-5-3-2-4-6-14/h2-8,10-11,13,20H,9,12,19H2,1H3/t13-/m1/s1
InChIKeyVZEOVICMIOOXPI-CYBMUJFWSA-N
MW280.37 g/mol
LogP3.64
Rot. Bonds5

About (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine

(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine (PubChem CID 129363588) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
PubChem CID129363588
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
SMILESC[C@@H](N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H20N2O/c1-13(19)9-15-11-20-18-8-7-16(10-17(15)18)21-12-14-5-3-2-4-6-14/h2-8,10-11,13,20H,9,12,19H2,1H3/t13-/m1/s1
InChIKeyVZEOVICMIOOXPI-CYBMUJFWSA-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

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Related Compounds

3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392250
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
1-(5-phenylmethoxy-1H-indol-2-yl)propan-2-amine
CID 10564721

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine (CID 129363588) is (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine is C[C@@H](N)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
The InChIKey is VZEOVICMIOOXPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(19)9-15-11-20-18-8-7-16(10-17(15)18)21-12-14-5-3-2-4-6-14/h2-8,10-11,13,20H,9,12,19H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine?
(2R)-1-(5-phenylmethoxy-1H-indol-3-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 (2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 129363588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).