1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine

C14H19N3O — CID 117176639

IUPAC1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine
SMILESCn1c(CN2CCOCC2)cc2cc(N)ccc21
InChIInChI=1S/C14H19N3O/c1-16-13(10-17-4-6-18-7-5-17)9-11-8-12(15)2-3-14(11)16/h2-3,8-9H,4-7,10,15H2,1H3
InChIKeyWLANFAWAFDXQFA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine

1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine (PubChem CID 117176639) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine.

Molecular Properties

Compound Name1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine
PubChem CID117176639
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine
SMILESCn1c(CN2CCOCC2)cc2cc(N)ccc21
InChIInChI=1S/C14H19N3O/c1-16-13(10-17-4-6-18-7-5-17)9-11-8-12(15)2-3-14(11)16/h2-3,8-9H,4-7,10,15H2,1H3
InChIKeyWLANFAWAFDXQFA-UHFFFAOYSA-N
XLogP1.59
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-Amino-9-ethylcarbazole
CID 8588
3-(Morpholinomethyl)indole
CID 21477
Npy5RA-972
CID 9884833
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
3-Acetamido-9-ethylcarbazole
CID 249414
9-(Morpholinomethyl)carbazole
CID 1713692
9-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10997754
1,2,3,4-Tetrahydropyrazino(1,2-a)indole
CID 14595509
N-(1-Methyl-1H-indol-2-ylmethyl)-N-phenylamine
CID 42776886
N-(9-Ethyl-9H-carbazol-3-yl)-3-morpholin-4-yl-propionamide
CID 22458813
Pyrazino[1,2-a]indole, 1,2,3,4-tetrahydro-2,10-dimethyl-
CID 3764701
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine?
The IUPAC name of 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine (CID 117176639) is 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine.
What is the SMILES notation for 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine?
The canonical SMILES for 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine is Cn1c(CN2CCOCC2)cc2cc(N)ccc21.
What is the InChIKey of 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine?
The InChIKey is WLANFAWAFDXQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-13(10-17-4-6-18-7-5-17)9-11-8-12(15)2-3-14(11)16/h2-3,8-9H,4-7,10,15H2,1H3.
What are the key properties of 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine?
1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine is sourced from PubChem (CID 117176639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).