(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride

C14H19ClN2O — CID 171248195

IUPAC(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc2cc[nH]c2c1)C1CCOCC1
InChIInChI=1S/C14H18N2O.ClH/c15-14(11-4-7-17-8-5-11)12-2-1-10-3-6-16-13(10)9-12;/h1-3,6,9,11,14,16H,4-5,7-8,15H2;1H/t14-;/m1./s1
InChIKeyCOMYQEASKMHYMK-PFEQFJNWSA-N
MW266.77 g/mol
LogP3.02
Rot. Bonds2

About (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride

(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride (PubChem CID 171248195) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride
PubChem CID171248195
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc2cc[nH]c2c1)C1CCOCC1
InChIInChI=1S/C14H18N2O.ClH/c15-14(11-4-7-17-8-5-11)12-2-1-10-3-6-16-13(10)9-12;/h1-3,6,9,11,14,16H,4-5,7-8,15H2;1H/t14-;/m1./s1
InChIKeyCOMYQEASKMHYMK-PFEQFJNWSA-N
XLogP3.02
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1H-indol-6-yl(piperidin-4-yl)methanamine;hydrochloride
CID 171314371
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
(R)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247844
(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171249564
6-[amino(oxan-4-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 62905471

Frequently Asked Questions

What is the IUPAC name of (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride (CID 171248195) is (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride is Cl.N[C@@H](c1ccc2cc[nH]c2c1)C1CCOCC1.
What is the InChIKey of (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride?
The InChIKey is COMYQEASKMHYMK-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c15-14(11-4-7-17-8-5-11)12-2-1-10-3-6-16-13(10)9-12;/h1-3,6,9,11,14,16H,4-5,7-8,15H2;1H/t14-;/m1./s1.
What are the key properties of (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride?
(R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1H-indol-6-yl(oxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 171248195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).