(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine

C15H20N2O — CID 131965234

IUPAC(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
SMILESC[C@H](Cc1c[nH]c2ccccc12)NCC1COC1
InChIInChI=1S/C15H20N2O/c1-11(16-7-12-9-18-10-12)6-13-8-17-15-5-3-2-4-14(13)15/h2-5,8,11-12,16-17H,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyKKHZIJUWKMPGFM-LLVKDONJSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds5

About (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine

(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine (PubChem CID 131965234) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
PubChem CID131965234
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
SMILESC[C@H](Cc1c[nH]c2ccccc12)NCC1COC1
InChIInChI=1S/C15H20N2O/c1-11(16-7-12-9-18-10-12)6-13-8-17-15-5-3-2-4-14(13)15/h2-5,8,11-12,16-17H,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyKKHZIJUWKMPGFM-LLVKDONJSA-N
XLogP2.33
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
1-(1H-indol-3-yl)-N-[[1-(methylsulfanylmethyl)cyclopropyl]methyl]propan-2-amine
CID 175071767
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
N-[1-(1H-indol-3-yl)propan-2-yl]bicyclo[1.1.1]pentan-1-amine
CID 138608964
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
3-(2-fluoropropyl)-1H-indole
CID 142409179

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine (CID 131965234) is (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine is C[C@H](Cc1c[nH]c2ccccc12)NCC1COC1.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine?
The InChIKey is KKHZIJUWKMPGFM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(16-7-12-9-18-10-12)6-13-8-17-15-5-3-2-4-14(13)15/h2-5,8,11-12,16-17H,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine?
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 131965234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).