ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine

C21H33N3O — CID 143466541

IUPACethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESCC.c1ccc(C(CCNCCN2CCOCC2)c2ccc[nH]2)cc1
InChIInChI=1S/C19H27N3O.C2H6/c1-2-5-17(6-3-1)18(19-7-4-9-21-19)8-10-20-11-12-22-13-15-23-16-14-22;1-2/h1-7,9,18,20-21H,8,10-16H2;1-2H3
InChIKeyHMNGFCAYBLEECJ-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.48
Rot. Bonds8

About ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine

ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 143466541) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID143466541
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Nameethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESCC.c1ccc(C(CCNCCN2CCOCC2)c2ccc[nH]2)cc1
InChIInChI=1S/C19H27N3O.C2H6/c1-2-5-17(6-3-1)18(19-7-4-9-21-19)8-10-20-11-12-22-13-15-23-16-14-22;1-2/h1-7,9,18,20-21H,8,10-16H2;1-2H3
InChIKeyHMNGFCAYBLEECJ-UHFFFAOYSA-N
XLogP3.48
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine
CID 59499292
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CID 28617584
2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid
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2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
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N-(2-morpholin-4-ylethyl)-3-nitroso-3-(3-phenylphenyl)propan-1-amine
CID 168965067
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
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N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 107095351
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CID 114987350

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine (CID 143466541) is ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine is CC.c1ccc(C(CCNCCN2CCOCC2)c2ccc[nH]2)cc1.
What is the InChIKey of ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is HMNGFCAYBLEECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.C2H6/c1-2-5-17(6-3-1)18(19-7-4-9-21-19)8-10-20-11-12-22-13-15-23-16-14-22;1-2/h1-7,9,18,20-21H,8,10-16H2;1-2H3.
What are the key properties of ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine?
ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 343.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 143466541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).