(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine

C19H27N3OS — CID 95177735

IUPAC(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(C)[C@H](CNCc1ccccc1N1CCOCC1)c1ccsc1
InChIInChI=1S/C19H27N3OS/c1-21(2)19(17-7-12-24-15-17)14-20-13-16-5-3-4-6-18(16)22-8-10-23-11-9-22/h3-7,12,15,19-20H,8-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyCCXJSQMYCWKASX-LJQANCHMSA-N
MW345.51 g/mol
LogP2.98
Rot. Bonds7

About (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine

(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 95177735) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine
PubChem CID95177735
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(C)[C@H](CNCc1ccccc1N1CCOCC1)c1ccsc1
InChIInChI=1S/C19H27N3OS/c1-21(2)19(17-7-12-24-15-17)14-20-13-16-5-3-4-6-18(16)22-8-10-23-11-9-22/h3-7,12,15,19-20H,8-11,13-14H2,1-2H3/t19-/m1/s1
InChIKeyCCXJSQMYCWKASX-LJQANCHMSA-N
XLogP2.98
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine with MolForge

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Related Compounds

3,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111119117
1-[(2-morpholin-4-ylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110928639
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111939667
2-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 63059430
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46592054
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2,3-dimethyl-1-[(2-morpholin-4-ylphenyl)methylamino]pentan-2-ol
CID 111118881
N'-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-3-ylethane-1,2-diamine
CID 56808698
N-[[2-(4-ethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63060169
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine (CID 95177735) is (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine is CN(C)[C@H](CNCc1ccccc1N1CCOCC1)c1ccsc1.
What is the InChIKey of (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is CCXJSQMYCWKASX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-21(2)19(17-7-12-24-15-17)14-20-13-16-5-3-4-6-18(16)22-8-10-23-11-9-22/h3-7,12,15,19-20H,8-11,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
(1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 345.51 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-N'-[(2-morpholin-4-ylphenyl)methyl]-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 95177735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).