N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine

C17H22N2OS — CID 126798588

IUPACN-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1cccc(N2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-14(16-5-10-21-13-16)18-12-15-3-2-4-17(11-15)19-6-8-20-9-7-19/h2-5,10-11,13-14,18H,6-9,12H2,1H3
InChIKeyVCYSHEHQWFDQDQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine

N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 126798588) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine
PubChem CID126798588
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1cccc(N2CCOCC2)c1)c1ccsc1
InChIInChI=1S/C17H22N2OS/c1-14(16-5-10-21-13-16)18-12-15-3-2-4-17(11-15)19-6-8-20-9-7-19/h2-5,10-11,13-14,18H,6-9,12H2,1H3
InChIKeyVCYSHEHQWFDQDQ-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
1-(3-morpholin-4-ylphenyl)propan-2-amine
CID 117314833
2-methyl-2-morpholin-4-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091009
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
(1S)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-1-thiophen-3-ylethanamine
CID 97230647
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
N-[(3-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932478
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
4-[[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]amino]methyl]benzonitrile
CID 95586172
4-(morpholin-4-ylmethyl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089964
N-[(4-methyloxan-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 115893048

Frequently Asked Questions

What is the IUPAC name of N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine (CID 126798588) is N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1cccc(N2CCOCC2)c1)c1ccsc1.
What is the InChIKey of N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is VCYSHEHQWFDQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-14(16-5-10-21-13-16)18-12-15-3-2-4-17(11-15)19-6-8-20-9-7-19/h2-5,10-11,13-14,18H,6-9,12H2,1H3.
What are the key properties of N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine?
N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 126798588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).