N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine

C20H25N3OS — CID 17463435

IUPACN-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCc1[nH]c2ccccc2c1CNCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H25N3OS/c1-15-17(16-5-2-3-6-18(16)22-15)13-21-14-19(20-7-4-12-25-20)23-8-10-24-11-9-23/h2-7,12,19,21-22H,8-11,13-14H2,1H3
InChIKeyMVTGEXZDOROFHF-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.70
Rot. Bonds6

About N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine

N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine (PubChem CID 17463435) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
PubChem CID17463435
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
SMILESCc1[nH]c2ccccc2c1CNCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H25N3OS/c1-15-17(16-5-2-3-6-18(16)22-15)13-21-14-19(20-7-4-12-25-20)23-8-10-24-11-9-23/h2-7,12,19,21-22H,8-11,13-14H2,1H3
InChIKeyMVTGEXZDOROFHF-UHFFFAOYSA-N
XLogP3.70
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]morpholine
CID 696739
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212
6,7-dimethyl-4-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methyl]chromen-2-one
CID 9265997
3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)but-2-en-1-amine
CID 119160583
1-[[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methyl]benzo[f]chromen-3-one
CID 84967087
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 47008131
N-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine;hydrochloride
CID 47008130
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 31335078

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine (CID 17463435) is N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine is Cc1[nH]c2ccccc2c1CNCC(c1cccs1)N1CCOCC1.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
The InChIKey is MVTGEXZDOROFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-15-17(16-5-2-3-6-18(16)22-15)13-21-14-19(20-7-4-12-25-20)23-8-10-24-11-9-23/h2-7,12,19,21-22H,8-11,13-14H2,1H3.
What are the key properties of N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine?
N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine has a molecular weight of 355.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-3-yl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 17463435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).