1H-indol-3-yl(oxan-3-yl)methanamine

C14H18N2O — CID 112742639

IUPAC1H-indol-3-yl(oxan-3-yl)methanamine
SMILESNC(c1c[nH]c2ccccc12)C1CCCOC1
InChIInChI=1S/C14H18N2O/c15-14(10-4-3-7-17-9-10)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,14,16H,3-4,7,9,15H2
InChIKeyGJLBMJYWOZKAFY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds2

About 1H-indol-3-yl(oxan-3-yl)methanamine

1H-indol-3-yl(oxan-3-yl)methanamine (PubChem CID 112742639) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1H-indol-3-yl(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1H-indol-3-yl(oxan-3-yl)methanamine
PubChem CID112742639
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1H-indol-3-yl(oxan-3-yl)methanamine
SMILESNC(c1c[nH]c2ccccc12)C1CCCOC1
InChIInChI=1S/C14H18N2O/c15-14(10-4-3-7-17-9-10)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,14,16H,3-4,7,9,15H2
InChIKeyGJLBMJYWOZKAFY-UHFFFAOYSA-N
XLogP2.59
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino(1H-indol-3-yl)methyl]cyclobutan-1-amine
CID 116937352
isoquinolin-4-yl(oxan-3-yl)methanamine
CID 65331748
(2-methoxyphenyl)-(oxan-3-yl)methanamine
CID 65331854
(3-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107139205
(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
CID 51497863
isoquinolin-1-yl(oxan-3-yl)methanamine
CID 107136367
3-(oxolan-3-yl)-1H-indole
CID 146673552
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
oxan-3-yl(pyrazolo[1,5-a]pyridin-3-yl)methanamine
CID 107138761
cyclobutyl-(5-methyl-1H-indol-3-yl)methanamine
CID 82277713
3-(1-cyclohexylpropyl)-1H-indole
CID 174511167
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(oxan-3-yl)methanamine?
The IUPAC name of 1H-indol-3-yl(oxan-3-yl)methanamine (CID 112742639) is 1H-indol-3-yl(oxan-3-yl)methanamine.
What is the SMILES notation for 1H-indol-3-yl(oxan-3-yl)methanamine?
The canonical SMILES for 1H-indol-3-yl(oxan-3-yl)methanamine is NC(c1c[nH]c2ccccc12)C1CCCOC1.
What is the InChIKey of 1H-indol-3-yl(oxan-3-yl)methanamine?
The InChIKey is GJLBMJYWOZKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-14(10-4-3-7-17-9-10)12-8-16-13-6-2-1-5-11(12)13/h1-2,5-6,8,10,14,16H,3-4,7,9,15H2.
What are the key properties of 1H-indol-3-yl(oxan-3-yl)methanamine?
1H-indol-3-yl(oxan-3-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(oxan-3-yl)methanamine is sourced from PubChem (CID 112742639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).