1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine

C18H23N3O3S — CID 119108046

IUPAC1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C18H23N3O3S/c1-14(13-20-8-10-24-11-9-20)19-12-15-6-7-18(25-15)16-4-2-3-5-17(16)21(22)23/h2-7,14,19H,8-13H2,1H3
InChIKeyWWBBAPCTXOBRCG-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.13
Rot. Bonds7

About 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine

1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine (PubChem CID 119108046) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine
PubChem CID119108046
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C18H23N3O3S/c1-14(13-20-8-10-24-11-9-20)19-12-15-6-7-18(25-15)16-4-2-3-5-17(16)21(22)23/h2-7,14,19H,8-13H2,1H3
InChIKeyWWBBAPCTXOBRCG-UHFFFAOYSA-N
XLogP3.13
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
N-butan-2-yl-2-[[5-(2-nitrophenyl)thiophen-2-yl]methylamino]propanamide
CID 119108376
1-[1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110022549
3-imidazol-1-yl-2-methyl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 119108348
2-methylsulfonyl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]ethanamine
CID 119108362
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]ethanamine
CID 119123200
1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]azetidine-3-carboxylic acid
CID 122046714
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)-2-nitroaniline
CID 60964780
3-[4-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanoic acid
CID 119134740
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
3,3-dimethyl-1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperidin-4-amine;hydrochloride
CID 120782272
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine (CID 119108046) is 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine is CC(CN1CCOCC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is WWBBAPCTXOBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(13-20-8-10-24-11-9-20)19-12-15-6-7-18(25-15)16-4-2-3-5-17(16)21(22)23/h2-7,14,19H,8-13H2,1H3.
What are the key properties of 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine?
1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 361.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 119108046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).