N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine

C14H21N3OS — CID 91840951

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCOCCn1cncc1CN(C)C(C)c1cccs1
InChIInChI=1S/C14H21N3OS/c1-12(14-5-4-8-19-14)16(2)10-13-9-15-11-17(13)6-7-18-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3
InChIKeyKHNODJBQSFMWAB-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.78
Rot. Bonds7

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 91840951) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID91840951
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCOCCn1cncc1CN(C)C(C)c1cccs1
InChIInChI=1S/C14H21N3OS/c1-12(14-5-4-8-19-14)16(2)10-13-9-15-11-17(13)6-7-18-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3
InChIKeyKHNODJBQSFMWAB-UHFFFAOYSA-N
XLogP2.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 26391825
N-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 45245542
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 124728151
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 62478000
N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 66130407
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
CID 104554083
3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 134696888
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 91830976

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 91840951) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine is COCCn1cncc1CN(C)C(C)c1cccs1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is KHNODJBQSFMWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-12(14-5-4-8-19-14)16(2)10-13-9-15-11-17(13)6-7-18-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3.
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 91840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).