N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride

C13H18ClN3O — CID 17221797

IUPACN-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
SMILESCl.c1cc2cc(CNN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C13H17N3O.ClH/c1-2-13-12(3-4-14-13)9-11(1)10-15-16-5-7-17-8-6-16;/h1-4,9,14-15H,5-8,10H2;1H
InChIKeyICTRUOITFBASBG-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.93
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride

N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride (PubChem CID 17221797) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
PubChem CID17221797
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
SMILESCl.c1cc2cc(CNN3CCOCC3)ccc2[nH]1
InChIInChI=1S/C13H17N3O.ClH/c1-2-13-12(3-4-14-13)9-11(1)10-15-16-5-7-17-8-6-16;/h1-4,9,14-15H,5-8,10H2;1H
InChIKeyICTRUOITFBASBG-UHFFFAOYSA-N
XLogP1.93
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
CID 83011765
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
N-[(3-bromo-4-chlorophenyl)methyl]morpholin-4-amine
CID 83230853
(2R)-N-(1H-indol-5-ylmethyl)-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95207377
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146
2-methoxy-4-[(morpholin-4-ylamino)methyl]phenol
CID 83010018
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
(6S)-4-(cyclopropylmethyl)-6-(1H-indol-5-ylmethyl)-1,4-oxazepane
CID 125013548
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 140663994

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride?
The IUPAC name of N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride (CID 17221797) is N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride?
The canonical SMILES for N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride is Cl.c1cc2cc(CNN3CCOCC3)ccc2[nH]1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride?
The InChIKey is ICTRUOITFBASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-2-13-12(3-4-14-13)9-11(1)10-15-16-5-7-17-8-6-16;/h1-4,9,14-15H,5-8,10H2;1H.
What are the key properties of N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride?
N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride is sourced from PubChem (CID 17221797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).